6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C14H24ClN3 — CID 102915326

IUPAC6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ccc(Cl)c(CN)n1)C(C)C
InChIInChI=1S/C14H24ClN3/c1-9(2)11(10(3)4)8-17-14-6-5-12(15)13(7-16)18-14/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyXKKUWCVIBBCREY-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.53
Rot. Bonds6

About 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915326) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915326
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ccc(Cl)c(CN)n1)C(C)C
InChIInChI=1S/C14H24ClN3/c1-9(2)11(10(3)4)8-17-14-6-5-12(15)13(7-16)18-14/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyXKKUWCVIBBCREY-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915326) is 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CC(C)C(CNc1ccc(Cl)c(CN)n1)C(C)C.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is XKKUWCVIBBCREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-9(2)11(10(3)4)8-17-14-6-5-12(15)13(7-16)18-14/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).