4-(5-methylcyclohexen-1-yl)pyridin-3-amine

C12H16N2 — CID 123509012

IUPAC4-(5-methylcyclohexen-1-yl)pyridin-3-amine
SMILESCC1CCC=C(c2ccncc2N)C1
InChIInChI=1S/C12H16N2/c1-9-3-2-4-10(7-9)11-5-6-14-8-12(11)13/h4-6,8-9H,2-3,7,13H2,1H3
InChIKeyDEVQWFMWDRDJOK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.87
Rot. Bonds1

About 4-(5-methylcyclohexen-1-yl)pyridin-3-amine

4-(5-methylcyclohexen-1-yl)pyridin-3-amine (PubChem CID 123509012) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(5-methylcyclohexen-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(5-methylcyclohexen-1-yl)pyridin-3-amine
PubChem CID123509012
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-(5-methylcyclohexen-1-yl)pyridin-3-amine
SMILESCC1CCC=C(c2ccncc2N)C1
InChIInChI=1S/C12H16N2/c1-9-3-2-4-10(7-9)11-5-6-14-8-12(11)13/h4-6,8-9H,2-3,7,13H2,1H3
InChIKeyDEVQWFMWDRDJOK-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylcyclohexen-1-yl)pyridin-3-amine?
The IUPAC name of 4-(5-methylcyclohexen-1-yl)pyridin-3-amine (CID 123509012) is 4-(5-methylcyclohexen-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-(5-methylcyclohexen-1-yl)pyridin-3-amine?
The canonical SMILES for 4-(5-methylcyclohexen-1-yl)pyridin-3-amine is CC1CCC=C(c2ccncc2N)C1.
What is the InChIKey of 4-(5-methylcyclohexen-1-yl)pyridin-3-amine?
The InChIKey is DEVQWFMWDRDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-3-2-4-10(7-9)11-5-6-14-8-12(11)13/h4-6,8-9H,2-3,7,13H2,1H3.
What are the key properties of 4-(5-methylcyclohexen-1-yl)pyridin-3-amine?
4-(5-methylcyclohexen-1-yl)pyridin-3-amine has a molecular weight of 188.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylcyclohexen-1-yl)pyridin-3-amine is sourced from PubChem (CID 123509012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).