N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

C15H21N3 — CID 63305484

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cccnc1CNCc1cc(C)n(C)c1C
InChIInChI=1S/C15H21N3/c1-11-6-5-7-17-15(11)10-16-9-14-8-12(2)18(4)13(14)3/h5-8,16H,9-10H2,1-4H3
InChIKeyMHPSEHAQPGNLOT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.64
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 63305484) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID63305484
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cccnc1CNCc1cc(C)n(C)c1C
InChIInChI=1S/C15H21N3/c1-11-6-5-7-17-15(11)10-16-9-14-8-12(2)18(4)13(14)3/h5-8,16H,9-10H2,1-4H3
InChIKeyMHPSEHAQPGNLOT-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 79604523
1-(3-methyl-2-pyridinyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042405
3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
CID 63305798
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (CID 63305484) is N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is Cc1cccnc1CNCc1cc(C)n(C)c1C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is MHPSEHAQPGNLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-6-5-7-17-15(11)10-16-9-14-8-12(2)18(4)13(14)3/h5-8,16H,9-10H2,1-4H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 63305484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).