N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine

C14H22N2 — CID 64744055

IUPACN-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1CCC(C)C(C)C1
InChIInChI=1S/C14H22N2/c1-10-6-7-13(9-12(10)3)16-14-11(2)5-4-8-15-14/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyZVLCCWPZVIMYCM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine

N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine (PubChem CID 64744055) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
PubChem CID64744055
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1CCC(C)C(C)C1
InChIInChI=1S/C14H22N2/c1-10-6-7-13(9-12(10)3)16-14-11(2)5-4-8-15-14/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyZVLCCWPZVIMYCM-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine (CID 64744055) is N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine is Cc1cccnc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine?
The InChIKey is ZVLCCWPZVIMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-7-13(9-12(10)3)16-14-11(2)5-4-8-15-14/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine?
N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 64744055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).