[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol

C13H26N2O — CID 64513850

IUPAC[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(N2CCCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-12-4-5-13(10-12,11-16)15-8-3-6-14-7-9-15/h12,14,16H,2-11H2,1H3
InChIKeyKTRKDYOTHJIGHA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds3

About [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol

[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol (PubChem CID 64513850) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
PubChem CID64513850
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(N2CCCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-12-4-5-13(10-12,11-16)15-8-3-6-14-7-9-15/h12,14,16H,2-11H2,1H3
InChIKeyKTRKDYOTHJIGHA-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol?
The IUPAC name of [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol (CID 64513850) is [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol.
What is the SMILES notation for [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol?
The canonical SMILES for [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol is CCC1CCC(CO)(N2CCCNCC2)C1.
What is the InChIKey of [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol?
The InChIKey is KTRKDYOTHJIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12-4-5-13(10-12,11-16)15-8-3-6-14-7-9-15/h12,14,16H,2-11H2,1H3.
What are the key properties of [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol?
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol is sourced from PubChem (CID 64513850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).