4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine

C14H22N2 — CID 115375622

IUPAC4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCc1cncc(C2CC(C)(C)CCC2N)c1
InChIInChI=1S/C14H22N2/c1-10-6-11(9-16-8-10)12-7-14(2,3)5-4-13(12)15/h6,8-9,12-13H,4-5,7,15H2,1-3H3
InChIKeyPDPCPQDIRKUGLU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.01
Rot. Bonds1

About 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine

4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine (PubChem CID 115375622) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine
PubChem CID115375622
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCc1cncc(C2CC(C)(C)CCC2N)c1
InChIInChI=1S/C14H22N2/c1-10-6-11(9-16-8-10)12-7-14(2,3)5-4-13(12)15/h6,8-9,12-13H,4-5,7,15H2,1-3H3
InChIKeyPDPCPQDIRKUGLU-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine (CID 115375622) is 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine is Cc1cncc(C2CC(C)(C)CCC2N)c1.
What is the InChIKey of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine?
The InChIKey is PDPCPQDIRKUGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-11(9-16-8-10)12-7-14(2,3)5-4-13(12)15/h6,8-9,12-13H,4-5,7,15H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine?
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine is sourced from PubChem (CID 115375622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).