5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine

C63H86Br3IN14 — CID 159131721

IUPAC5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine
SMILESC/C=C/c1ccc(N(C)C)nc1.CCC(N)c1ccc(N(C)C)nc1.CCC(NCc1ccccc1)c1ccc(N(C)C)nc1.CI.CN(C)c1ccc(Br)cn1.Cc1ccc(Br)cn1.NCc1ccccc1.Nc1ccc(Br)cn1
InChIInChI=1S/C17H23N3.C10H17N3.C10H14N2.C7H9BrN2.C7H9N.C6H6BrN.C5H5BrN2.CH3I/c1-4-16(18-12-14-8-6-5-7-9-14)15-10-11-17(19-13-15)20(2)3;1-4-9(11)8-5-6-10(12-7-8)13(2)3;1-4-5-9-6-7-10(11-8-9)12(2)3;1-10(2)7-4-3-6(8)5-9-7;8-6-7-4-2-1-3-5-7;1-5-2-3-6(7)4-8-5;6-4-1-2-5(7)8-3-4;1-2/h5-11,13,16,18H,4,12H2,1-3H3;5-7,9H,4,11H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;1-5H,6,8H2;2-4H,1H3;1-3H,(H2,7,8);1H3/b;;5-4+;;;;;
InChIKeyKGZBVUHNJSIXRY-IQNFEYDESA-N
MW1406.09 g/mol
LogP14.81
Rot. Bonds13

About 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine

5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine (PubChem CID 159131721) has the molecular formula C63H86Br3IN14 and a molecular weight of 1406.09 g/mol. Its IUPAC name is 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine.

Molecular Properties

Compound Name5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine
PubChem CID159131721
Molecular FormulaC63H86Br3IN14
Molecular Weight1406.09 g/mol
Exact Mass1402.38
IUPAC Name5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine
SMILESC/C=C/c1ccc(N(C)C)nc1.CCC(N)c1ccc(N(C)C)nc1.CCC(NCc1ccccc1)c1ccc(N(C)C)nc1.CI.CN(C)c1ccc(Br)cn1.Cc1ccc(Br)cn1.NCc1ccccc1.Nc1ccc(Br)cn1
InChIInChI=1S/C17H23N3.C10H17N3.C10H14N2.C7H9BrN2.C7H9N.C6H6BrN.C5H5BrN2.CH3I/c1-4-16(18-12-14-8-6-5-7-9-14)15-10-11-17(19-13-15)20(2)3;1-4-9(11)8-5-6-10(12-7-8)13(2)3;1-4-5-9-6-7-10(11-8-9)12(2)3;1-10(2)7-4-3-6(8)5-9-7;8-6-7-4-2-1-3-5-7;1-5-2-3-6(7)4-8-5;6-4-1-2-5(7)8-3-4;1-2/h5-11,13,16,18H,4,12H2,1-3H3;5-7,9H,4,11H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;1-5H,6,8H2;2-4H,1H3;1-3H,(H2,7,8);1H3/b;;5-4+;;;;;
InChIKeyKGZBVUHNJSIXRY-IQNFEYDESA-N
XLogP14.81
TPSA180.39 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.09
LogP ≤ 514.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine with MolForge

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Related Compounds

6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949221
N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033332
N'-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
CID 57081844
(1R)-N'-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
CID 69140654
(1S)-N'-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
CID 69140657
5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 157408550
4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(3,5-dimethylphenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 158099409
4-N,6-N-bis(3-methylphenyl)-2-N-pyridin-2-yl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-bis(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;6-N-(4-bromophenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 158138659
CID 159227416
CID 159227416
6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 4523116
6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 4608356
6-(5-bromo-3-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]-2-phenylpyrimidin-4-amine
CID 5016462

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine?
The IUPAC name of 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine (CID 159131721) is 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine.
What is the SMILES notation for 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine?
The canonical SMILES for 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine is C/C=C/c1ccc(N(C)C)nc1.CCC(N)c1ccc(N(C)C)nc1.CCC(NCc1ccccc1)c1ccc(N(C)C)nc1.CI.CN(C)c1ccc(Br)cn1.Cc1ccc(Br)cn1.NCc1ccccc1.Nc1ccc(Br)cn1.
What is the InChIKey of 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine?
The InChIKey is KGZBVUHNJSIXRY-IQNFEYDESA-N. The full InChI is InChI=1S/C17H23N3.C10H17N3.C10H14N2.C7H9BrN2.C7H9N.C6H6BrN.C5H5BrN2.CH3I/c1-4-16(18-12-14-8-6-5-7-9-14)15-10-11-17(19-13-15)20(2)3;1-4-9(11)8-5-6-10(12-7-8)13(2)3;1-4-5-9-6-7-10(11-8-9)12(2)3;1-10(2)7-4-3-6(8)5-9-7;8-6-7-4-2-1-3-5-7;1-5-2-3-6(7)4-8-5;6-4-1-2-5(7)8-3-4;1-2/h5-11,13,16,18H,4,12H2,1-3H3;5-7,9H,4,11H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;1-5H,6,8H2;2-4H,1H3;1-3H,(H2,7,8);1H3/b;;5-4+;;;;;.
What are the key properties of 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine?
5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine has a molecular weight of 1406.09 g/mol, XLogP of 14.81, 13 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine is sourced from PubChem (CID 159131721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).