2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine

C16H26N2 — CID 107428570

IUPAC2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine
SMILESCc1ncccc1NC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H26N2/c1-12(2)10-14-6-4-7-15(11-14)18-16-8-5-9-17-13(16)3/h5,8-9,12,14-15,18H,4,6-7,10-11H2,1-3H3
InChIKeyZFQCBFADCJJMJY-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.41
Rot. Bonds4

About 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine

2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine (PubChem CID 107428570) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine
PubChem CID107428570
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine
SMILESCc1ncccc1NC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H26N2/c1-12(2)10-14-6-4-7-15(11-14)18-16-8-5-9-17-13(16)3/h5,8-9,12,14-15,18H,4,6-7,10-11H2,1-3H3
InChIKeyZFQCBFADCJJMJY-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine (CID 107428570) is 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine is Cc1ncccc1NC1CCCC(CC(C)C)C1.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine?
The InChIKey is ZFQCBFADCJJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)10-14-6-4-7-15(11-14)18-16-8-5-9-17-13(16)3/h5,8-9,12,14-15,18H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine?
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropyl)cyclohexyl]pyridin-3-amine is sourced from PubChem (CID 107428570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).