4-butyl-3H-pyridin-4-amine

C9H16N2 — CID 175325682

IUPAC4-butyl-3H-pyridin-4-amine
SMILESCCCCC1(N)C=CN=CC1
InChIInChI=1S/C9H16N2/c1-2-3-4-9(10)5-7-11-8-6-9/h5,7-8H,2-4,6,10H2,1H3
InChIKeyJLIDKFVITUMPMZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.86
Rot. Bonds3

About 4-butyl-3H-pyridin-4-amine

4-butyl-3H-pyridin-4-amine (PubChem CID 175325682) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butyl-3H-pyridin-4-amine.

Molecular Properties

Compound Name4-butyl-3H-pyridin-4-amine
PubChem CID175325682
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butyl-3H-pyridin-4-amine
SMILESCCCCC1(N)C=CN=CC1
InChIInChI=1S/C9H16N2/c1-2-3-4-9(10)5-7-11-8-6-9/h5,7-8H,2-4,6,10H2,1H3
InChIKeyJLIDKFVITUMPMZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3H-pyridin-4-amine?
The IUPAC name of 4-butyl-3H-pyridin-4-amine (CID 175325682) is 4-butyl-3H-pyridin-4-amine.
What is the SMILES notation for 4-butyl-3H-pyridin-4-amine?
The canonical SMILES for 4-butyl-3H-pyridin-4-amine is CCCCC1(N)C=CN=CC1.
What is the InChIKey of 4-butyl-3H-pyridin-4-amine?
The InChIKey is JLIDKFVITUMPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-9(10)5-7-11-8-6-9/h5,7-8H,2-4,6,10H2,1H3.
What are the key properties of 4-butyl-3H-pyridin-4-amine?
4-butyl-3H-pyridin-4-amine has a molecular weight of 152.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3H-pyridin-4-amine is sourced from PubChem (CID 175325682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).