2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol

C15H31NO — CID 64775079

IUPAC2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
SMILESCCC1CCC(N(CCO)C(CC)CC)CC1
InChIInChI=1S/C15H31NO/c1-4-13-7-9-15(10-8-13)16(11-12-17)14(5-2)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeyFBWYZWRBGCWWCW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds7

About 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol

2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol (PubChem CID 64775079) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
PubChem CID64775079
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
SMILESCCC1CCC(N(CCO)C(CC)CC)CC1
InChIInChI=1S/C15H31NO/c1-4-13-7-9-15(10-8-13)16(11-12-17)14(5-2)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeyFBWYZWRBGCWWCW-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol 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-ethylcyclohexyl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol (CID 64775079) is 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol is CCC1CCC(N(CCO)C(CC)CC)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol?
The InChIKey is FBWYZWRBGCWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-13-7-9-15(10-8-13)16(11-12-17)14(5-2)6-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol?
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 64775079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).