3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine

C12H21N3 — CID 81248532

IUPAC3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine
SMILESCCCCCN(C)c1ccncc1CN
InChIInChI=1S/C12H21N3/c1-3-4-5-8-15(2)12-6-7-14-10-11(12)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyYFDMKZSWVQVPGP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine

3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine (PubChem CID 81248532) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine
PubChem CID81248532
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine
SMILESCCCCCN(C)c1ccncc1CN
InChIInChI=1S/C12H21N3/c1-3-4-5-8-15(2)12-6-7-14-10-11(12)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyYFDMKZSWVQVPGP-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.17
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

3-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridin-4-amine
CID 81248237
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 81246543
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
3-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 81248637
3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
CID 143837442
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-4-amine
CID 82952880
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
[4-[2-ethoxyethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237193

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine (CID 81248532) is 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine is CCCCCN(C)c1ccncc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine?
The InChIKey is YFDMKZSWVQVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-8-15(2)12-6-7-14-10-11(12)9-13/h6-7,10H,3-5,8-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine?
3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine is sourced from PubChem (CID 81248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).