4-(2H-pyridin-1-yl)butan-1-amine

C9H16N2 — CID 21495187

IUPAC4-(2H-pyridin-1-yl)butan-1-amine
SMILESNCCCCN1C=CC=CC1
InChIInChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-10H2
InChIKeyKCPJRZSDUQZRLO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.11
Rot. Bonds4

About 4-(2H-pyridin-1-yl)butan-1-amine

4-(2H-pyridin-1-yl)butan-1-amine (PubChem CID 21495187) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2H-pyridin-1-yl)butan-1-amine
PubChem CID21495187
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(2H-pyridin-1-yl)butan-1-amine
SMILESNCCCCN1C=CC=CC1
InChIInChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-10H2
InChIKeyKCPJRZSDUQZRLO-UHFFFAOYSA-N
XLogP1.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-2-aminopyridine
CID 67696353
2-fluoro-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-N'-methylbutane-1,4-diamine
CID 169934828
3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine
CID 176888984
2-(2H-pyridin-1-yl)ethanamine
CID 18470667
1-Prop-2-enyl-1,2-dihydropyridin-1-ium
CID 19829268
3-(6-methyl-2H-pyridin-1-yl)propan-1-amine
CID 19899440
1-butyl-1-methyl-2H-pyridin-1-ium
CID 19979782
1-Hexyl-1,2-dihydropyridin-1-ium
CID 20042075
5-(2H-pyridin-1-yl)pentan-1-amine
CID 21495181
6-(2H-pyridin-1-yl)hexan-1-amine
CID 21495193
3-(2H-pyridin-1-yl)propan-1-amine
CID 21495195
N-methyl-3-(2H-pyridin-1-yl)butan-1-amine
CID 23354009

Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of 4-(2H-pyridin-1-yl)butan-1-amine (CID 21495187) is 4-(2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for 4-(2H-pyridin-1-yl)butan-1-amine is NCCCCN1C=CC=CC1.
What is the InChIKey of 4-(2H-pyridin-1-yl)butan-1-amine?
The InChIKey is KCPJRZSDUQZRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-10H2.
What are the key properties of 4-(2H-pyridin-1-yl)butan-1-amine?
4-(2H-pyridin-1-yl)butan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 21495187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).