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

C13H25NO2 — CID 111488864

IUPAC3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
SMILESOCCCN(CC1CCCO1)C1CCCC1
InChIInChI=1S/C13H25NO2/c15-9-4-8-14(12-5-1-2-6-12)11-13-7-3-10-16-13/h12-13,15H,1-11H2
InChIKeyULYUVYKQVHQNFQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.79
Rot. Bonds6

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

3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol (PubChem CID 111488864) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
PubChem CID111488864
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
SMILESOCCCN(CC1CCCO1)C1CCCC1
InChIInChI=1S/C13H25NO2/c15-9-4-8-14(12-5-1-2-6-12)11-13-7-3-10-16-13/h12-13,15H,1-11H2
InChIKeyULYUVYKQVHQNFQ-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
CID 102848652
2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
CID 111488883
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
CID 102858494
N'-cyclohexyl-N'-[3-(oxolan-2-yl)propyl]ethane-1,2-diamine
CID 65165454
N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol (CID 111488864) is 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol is OCCCN(CC1CCCO1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol?
The InChIKey is ULYUVYKQVHQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-9-4-8-14(12-5-1-2-6-12)11-13-7-3-10-16-13/h12-13,15H,1-11H2.
What are the key properties of 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol?
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 111488864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).