3-chloro-N-(4-methylpentyl)pyridin-4-amine

C11H17ClN2 — CID 79839670

IUPAC3-chloro-N-(4-methylpentyl)pyridin-4-amine
SMILESCC(C)CCCNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-9(2)4-3-6-14-11-5-7-13-8-10(11)12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyWXJPYSZHJNOFIK-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.58
Rot. Bonds5

About 3-chloro-N-(4-methylpentyl)pyridin-4-amine

3-chloro-N-(4-methylpentyl)pyridin-4-amine (PubChem CID 79839670) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-chloro-N-(4-methylpentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methylpentyl)pyridin-4-amine
PubChem CID79839670
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-chloro-N-(4-methylpentyl)pyridin-4-amine
SMILESCC(C)CCCNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-9(2)4-3-6-14-11-5-7-13-8-10(11)12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyWXJPYSZHJNOFIK-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.58
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

3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-methyl-N-(7-methyloctyl)pyridin-4-amine
CID 107816087
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylpentyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(4-methylpentyl)pyridin-4-amine (CID 79839670) is 3-chloro-N-(4-methylpentyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(4-methylpentyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(4-methylpentyl)pyridin-4-amine is CC(C)CCCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(4-methylpentyl)pyridin-4-amine?
The InChIKey is WXJPYSZHJNOFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(2)4-3-6-14-11-5-7-13-8-10(11)12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(4-methylpentyl)pyridin-4-amine?
3-chloro-N-(4-methylpentyl)pyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylpentyl)pyridin-4-amine is sourced from PubChem (CID 79839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).