N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine

C12H15N3 — CID 62339076

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1cccc(CNCc2ccc[nH]2)n1
InChIInChI=1S/C12H15N3/c1-10-4-2-5-12(15-10)9-13-8-11-6-3-7-14-11/h2-7,13-14H,8-9H2,1H3
InChIKeyQHIBOBUYYGYTRR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.01
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine

N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 62339076) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
PubChem CID62339076
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCc1cccc(CNCc2ccc[nH]2)n1
InChIInChI=1S/C12H15N3/c1-10-4-2-5-12(15-10)9-13-8-11-6-3-7-14-11/h2-7,13-14H,8-9H2,1H3
InChIKeyQHIBOBUYYGYTRR-UHFFFAOYSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
CID 62761606
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62332060
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine (CID 62339076) is N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine is Cc1cccc(CNCc2ccc[nH]2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is QHIBOBUYYGYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-2-5-12(15-10)9-13-8-11-6-3-7-14-11/h2-7,13-14H,8-9H2,1H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 62339076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).