[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C18H36N2O — CID 79567491

IUPAC[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCCCN(CCC1CCCC1(CO)NC(C)C)C1CC1
InChIInChI=1S/C18H36N2O/c1-4-5-12-20(17-8-9-17)13-10-16-7-6-11-18(16,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3
InChIKeyPMEUBXRNRFRSGI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds10

About [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79567491) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79567491
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCCCN(CCC1CCCC1(CO)NC(C)C)C1CC1
InChIInChI=1S/C18H36N2O/c1-4-5-12-20(17-8-9-17)13-10-16-7-6-11-18(16,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3
InChIKeyPMEUBXRNRFRSGI-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol 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-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79567491) is [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CCCCN(CCC1CCCC1(CO)NC(C)C)C1CC1.
What is the InChIKey of [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is PMEUBXRNRFRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-5-12-20(17-8-9-17)13-10-16-7-6-11-18(16,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3.
What are the key properties of [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79567491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).