4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol

C11H23NO2 — CID 115976095

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
SMILESCC(CCCO)NC1(CO)CCCC1
InChIInChI=1S/C11H23NO2/c1-10(5-4-8-13)12-11(9-14)6-2-3-7-11/h10,12-14H,2-9H2,1H3
InChIKeyYTPRRIOKJKTBNX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.04
Rot. Bonds6

About 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol

4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol (PubChem CID 115976095) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
PubChem CID115976095
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
SMILESCC(CCCO)NC1(CO)CCCC1
InChIInChI=1S/C11H23NO2/c1-10(5-4-8-13)12-11(9-14)6-2-3-7-11/h10,12-14H,2-9H2,1H3
InChIKeyYTPRRIOKJKTBNX-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol (CID 115976095) is 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol is CC(CCCO)NC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The InChIKey is YTPRRIOKJKTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(5-4-8-13)12-11(9-14)6-2-3-7-11/h10,12-14H,2-9H2,1H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol is sourced from PubChem (CID 115976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).