1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

C16H32N2O — CID 106615678

IUPAC1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(CC(O)CC1CCCC1)CC1CCCN1
InChIInChI=1S/C16H32N2O/c1-2-10-18(12-15-8-5-9-17-15)13-16(19)11-14-6-3-4-7-14/h14-17,19H,2-13H2,1H3
InChIKeyOLTHNVMSIBRNGX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds8

About 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (PubChem CID 106615678) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
PubChem CID106615678
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(CC(O)CC1CCCC1)CC1CCCN1
InChIInChI=1S/C16H32N2O/c1-2-10-18(12-15-8-5-9-17-15)13-16(19)11-14-6-3-4-7-14/h14-17,19H,2-13H2,1H3
InChIKeyOLTHNVMSIBRNGX-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-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

Related Compounds

(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 106616449
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (CID 106615678) is 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is CCCN(CC(O)CC1CCCC1)CC1CCCN1.
What is the InChIKey of 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The InChIKey is OLTHNVMSIBRNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-10-18(12-15-8-5-9-17-15)13-16(19)11-14-6-3-4-7-14/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106615678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).