4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine

C14H29NO — CID 64708543

IUPAC4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
SMILESCC(N)CC(C)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-10-6-13(9-14(4,5)8-10)16-12(3)7-11(2)15/h10-13H,6-9,15H2,1-5H3
InChIKeyRNHQPVSIHZOWJZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.34
Rot. Bonds4

About 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine

4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine (PubChem CID 64708543) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine.

Molecular Properties

Compound Name4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
PubChem CID64708543
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
SMILESCC(N)CC(C)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-10-6-13(9-14(4,5)8-10)16-12(3)7-11(2)15/h10-13H,6-9,15H2,1-5H3
InChIKeyRNHQPVSIHZOWJZ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine?
The IUPAC name of 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine (CID 64708543) is 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine.
What is the SMILES notation for 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine?
The canonical SMILES for 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine is CC(N)CC(C)OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine?
The InChIKey is RNHQPVSIHZOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10-6-13(9-14(4,5)8-10)16-12(3)7-11(2)15/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine?
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine is sourced from PubChem (CID 64708543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).