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

C10H15ClN2 — CID 79769796

IUPAC3-chloro-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCNc1ccncc1Cl
InChIInChI=1S/C10H15ClN2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyZLOKFQKEHQROEY-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.19
Rot. Bonds4

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

3-chloro-N-(3-methylbutyl)pyridin-4-amine (PubChem CID 79769796) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-chloro-N-(3-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methylbutyl)pyridin-4-amine
PubChem CID79769796
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-chloro-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCNc1ccncc1Cl
InChIInChI=1S/C10H15ClN2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyZLOKFQKEHQROEY-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylbutyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(3-methylbutyl)pyridin-4-amine (CID 79769796) is 3-chloro-N-(3-methylbutyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(3-methylbutyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(3-methylbutyl)pyridin-4-amine is CC(C)CCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-methylbutyl)pyridin-4-amine?
The InChIKey is ZLOKFQKEHQROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(3-methylbutyl)pyridin-4-amine?
3-chloro-N-(3-methylbutyl)pyridin-4-amine has a molecular weight of 198.70 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 79769796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).