2-(1,4-diazepan-1-yl)heptan-1-ol

C12H26N2O — CID 61049039

IUPAC2-(1,4-diazepan-1-yl)heptan-1-ol
SMILESCCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-2-3-4-6-12(11-15)14-9-5-7-13-8-10-14/h12-13,15H,2-11H2,1H3
InChIKeyKYRGPIZRQCVJKE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)heptan-1-ol

2-(1,4-diazepan-1-yl)heptan-1-ol (PubChem CID 61049039) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)heptan-1-ol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)heptan-1-ol
PubChem CID61049039
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(1,4-diazepan-1-yl)heptan-1-ol
SMILESCCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-2-3-4-6-12(11-15)14-9-5-7-13-8-10-14/h12-13,15H,2-11H2,1H3
InChIKeyKYRGPIZRQCVJKE-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Azepan-2-yl)methanol
CID 2849412
Azepan-2-ylmethanol Hydrochloride
CID 6456437
2-[2-[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]ethyl-methylamino]ethanol
CID 171359705
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634120
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)azepan-2-yl]methanol
CID 116634245
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)azepan-2-yl]methanol
CID 116634251
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298
1,8-Diazabicyclo[5,4,0]undecan-7-ol
CID 541962
(S)-azepan-2-ylmethanol
CID 870731
1-[1-(Dimethylamino)propan-2-ylamino]octadecan-2-ol
CID 19846638
2-Piperazin-1-ylnonan-1-ol
CID 22386494
1-(Azepan-2-yl)ethanol
CID 23087470

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)heptan-1-ol?
The IUPAC name of 2-(1,4-diazepan-1-yl)heptan-1-ol (CID 61049039) is 2-(1,4-diazepan-1-yl)heptan-1-ol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)heptan-1-ol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)heptan-1-ol is CCCCCC(CO)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)heptan-1-ol?
The InChIKey is KYRGPIZRQCVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-3-4-6-12(11-15)14-9-5-7-13-8-10-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)heptan-1-ol?
2-(1,4-diazepan-1-yl)heptan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)heptan-1-ol is sourced from PubChem (CID 61049039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).