5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine

C15H26BrN3 — CID 62285283

IUPAC5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(CCC)CCC
InChIInChI=1S/C15H26BrN3/c1-4-7-17-11-13-10-14(16)12-18-15(13)19(8-5-2)9-6-3/h10,12,17H,4-9,11H2,1-3H3
InChIKeyJLIBQOHGYNMEOI-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.97
Rot. Bonds9

About 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62285283) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62285283
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(CCC)CCC
InChIInChI=1S/C15H26BrN3/c1-4-7-17-11-13-10-14(16)12-18-15(13)19(8-5-2)9-6-3/h10,12,17H,4-9,11H2,1-3H3
InChIKeyJLIBQOHGYNMEOI-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62281050
[5-bromo-2-[2-(dimethylamino)ethyl-propylamino]-3-pyridinyl]methanol
CID 62001126
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63274618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine (CID 62285283) is 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(CCC)CCC.
What is the InChIKey of 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is JLIBQOHGYNMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-7-17-11-13-10-14(16)12-18-15(13)19(8-5-2)9-6-3/h10,12,17H,4-9,11H2,1-3H3.
What are the key properties of 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 328.30 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).