4-methyl-2-pyridin-3-ylcyclohexan-1-amine

C12H18N2 — CID 81013157

IUPAC4-methyl-2-pyridin-3-ylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cccnc2)C1
InChIInChI=1S/C12H18N2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h2-3,6,8-9,11-12H,4-5,7,13H2,1H3
InChIKeyHSPZRDIAFDZQTP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds1

About 4-methyl-2-pyridin-3-ylcyclohexan-1-amine

4-methyl-2-pyridin-3-ylcyclohexan-1-amine (PubChem CID 81013157) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-ylcyclohexan-1-amine
PubChem CID81013157
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-methyl-2-pyridin-3-ylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cccnc2)C1
InChIInChI=1S/C12H18N2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h2-3,6,8-9,11-12H,4-5,7,13H2,1H3
InChIKeyHSPZRDIAFDZQTP-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-ylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-pyridin-3-ylcyclohexan-1-amine (CID 81013157) is 4-methyl-2-pyridin-3-ylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-pyridin-3-ylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-pyridin-3-ylcyclohexan-1-amine is CC1CCC(N)C(c2cccnc2)C1.
What is the InChIKey of 4-methyl-2-pyridin-3-ylcyclohexan-1-amine?
The InChIKey is HSPZRDIAFDZQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h2-3,6,8-9,11-12H,4-5,7,13H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-ylcyclohexan-1-amine?
4-methyl-2-pyridin-3-ylcyclohexan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-ylcyclohexan-1-amine is sourced from PubChem (CID 81013157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).