2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol

C13H26N2O — CID 64757089

IUPAC2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol
SMILESCC(CO)(C1CCCC1)N1CCCNCC1
InChIInChI=1S/C13H26N2O/c1-13(11-16,12-5-2-3-6-12)15-9-4-7-14-8-10-15/h12,14,16H,2-11H2,1H3
InChIKeyVENXVAJKXTWPEI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds3

About 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol

2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol (PubChem CID 64757089) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol
PubChem CID64757089
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol
SMILESCC(CO)(C1CCCC1)N1CCCNCC1
InChIInChI=1S/C13H26N2O/c1-13(11-16,12-5-2-3-6-12)15-9-4-7-14-8-10-15/h12,14,16H,2-11H2,1H3
InChIKeyVENXVAJKXTWPEI-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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Related Compounds

2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
CID 63323969
1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788
1-cyclohexyl-1-piperazin-1-ylethanol
CID 69265314
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924102
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
2-cyclohexyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84723205
2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)propan-1-ol
CID 61049034
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-(1,4-diazepan-1-yl)-2-pyridin-4-ylpropan-1-ol
CID 61047834
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol
CID 114080466

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol (CID 64757089) is 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol is CC(CO)(C1CCCC1)N1CCCNCC1.
What is the InChIKey of 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is VENXVAJKXTWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(11-16,12-5-2-3-6-12)15-9-4-7-14-8-10-15/h12,14,16H,2-11H2,1H3.
What are the key properties of 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol?
2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol 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 2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 64757089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).