N-butylpyridin-3-amine

C9H14N2 — CID 22322612

IUPACN-butylpyridin-3-amine
SMILESCCCCNc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4-6,8,11H,2-3,7H2,1H3
InChIKeyYXGVVRABHWIOBA-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.29
Rot. Bonds4

About N-butylpyridin-3-amine

N-butylpyridin-3-amine (PubChem CID 22322612) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-butylpyridin-3-amine.

Molecular Properties

Compound NameN-butylpyridin-3-amine
PubChem CID22322612
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-butylpyridin-3-amine
SMILESCCCCNc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4-6,8,11H,2-3,7H2,1H3
InChIKeyYXGVVRABHWIOBA-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N-butylpyridin-3-amine?
The IUPAC name of N-butylpyridin-3-amine (CID 22322612) is N-butylpyridin-3-amine.
What is the SMILES notation for N-butylpyridin-3-amine?
The canonical SMILES for N-butylpyridin-3-amine is CCCCNc1cccnc1.
What is the InChIKey of N-butylpyridin-3-amine?
The InChIKey is YXGVVRABHWIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4-6,8,11H,2-3,7H2,1H3.
What are the key properties of N-butylpyridin-3-amine?
N-butylpyridin-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyridin-3-amine is sourced from PubChem (CID 22322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).