4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine

C14H29N — CID 64774900

IUPAC4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine
SMILESCC1CCC(CCC(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-11-5-7-12(8-6-11)9-10-13(15)14(2,3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyNCUZPNIINYDFAI-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds3

About 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine

4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine (PubChem CID 64774900) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine
PubChem CID64774900
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine
SMILESCC1CCC(CCC(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-11-5-7-12(8-6-11)9-10-13(15)14(2,3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyNCUZPNIINYDFAI-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine (CID 64774900) is 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine is CC1CCC(CCC(N)C(C)(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine?
The InChIKey is NCUZPNIINYDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11-5-7-12(8-6-11)9-10-13(15)14(2,3)4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine?
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine is sourced from PubChem (CID 64774900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).