1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol

C14H28N2O — CID 64909797

IUPAC1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC1CCC(NCC(O)CN2CCCC2)C1C
InChIInChI=1S/C14H28N2O/c1-11-5-6-14(12(11)2)15-9-13(17)10-16-7-3-4-8-16/h11-15,17H,3-10H2,1-2H3
InChIKeyNHIJNFHGLXSSCN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds5

About 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 64909797) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID64909797
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC1CCC(NCC(O)CN2CCCC2)C1C
InChIInChI=1S/C14H28N2O/c1-11-5-6-14(12(11)2)15-9-13(17)10-16-7-3-4-8-16/h11-15,17H,3-10H2,1-2H3
InChIKeyNHIJNFHGLXSSCN-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-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 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 64909797) is 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol is CC1CCC(NCC(O)CN2CCCC2)C1C.
What is the InChIKey of 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is NHIJNFHGLXSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-5-6-14(12(11)2)15-9-13(17)10-16-7-3-4-8-16/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 64909797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).