4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol

C14H29NO — CID 115725107

IUPAC4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)CCC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(9-10-16)11-15-13(2)7-8-14-5-3-4-6-14/h12-16H,3-11H2,1-2H3
InChIKeyNYIZVMPHKNKZOQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds8

About 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol

4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 115725107) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
PubChem CID115725107
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)CCC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(9-10-16)11-15-13(2)7-8-14-5-3-4-6-14/h12-16H,3-11H2,1-2H3
InChIKeyNYIZVMPHKNKZOQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyclopentylbutan-2-ylamino)-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 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol (CID 115725107) is 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol is CC(CCO)CNC(C)CCC1CCCC1.
What is the InChIKey of 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is NYIZVMPHKNKZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(9-10-16)11-15-13(2)7-8-14-5-3-4-6-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol?
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 115725107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).