2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol

C15H31NO — CID 4712336

IUPAC2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-11(2)14(10-17)16-13-8-6-12(7-9-13)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyAFOVREWAXPHFCX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds4

About 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol

2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol (PubChem CID 4712336) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol
PubChem CID4712336
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-11(2)14(10-17)16-13-8-6-12(7-9-13)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyAFOVREWAXPHFCX-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol 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 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol (CID 4712336) is 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol?
The InChIKey is AFOVREWAXPHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)14(10-17)16-13-8-6-12(7-9-13)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol?
2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 4712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).