(1-ethyl-1,4-diazepan-2-yl)methanol

C8H18N2O — CID 82240889

IUPAC(1-ethyl-1,4-diazepan-2-yl)methanol
SMILESCCN1CCCNCC1CO
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3
InChIKeyWRUYOZQEFYNEKI-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds2

About (1-ethyl-1,4-diazepan-2-yl)methanol

(1-ethyl-1,4-diazepan-2-yl)methanol (PubChem CID 82240889) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (1-ethyl-1,4-diazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-1,4-diazepan-2-yl)methanol
PubChem CID82240889
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(1-ethyl-1,4-diazepan-2-yl)methanol
SMILESCCN1CCCNCC1CO
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3
InChIKeyWRUYOZQEFYNEKI-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-ethyl-1,4-diazepan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
(1-butan-2-yl-1,4-diazepan-2-yl)methanol
CID 82241022
(1-ethylazepan-2-yl)methanol
CID 2849413
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
CID 176994090
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996
(1-oxidopiperazin-2-yl)methanol
CID 87775349
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol
CID 82244905
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
acetic acid;azane;1,2-diethylpiperazine
CID 174720092

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1,4-diazepan-2-yl)methanol?
The IUPAC name of (1-ethyl-1,4-diazepan-2-yl)methanol (CID 82240889) is (1-ethyl-1,4-diazepan-2-yl)methanol.
What is the SMILES notation for (1-ethyl-1,4-diazepan-2-yl)methanol?
The canonical SMILES for (1-ethyl-1,4-diazepan-2-yl)methanol is CCN1CCCNCC1CO.
What is the InChIKey of (1-ethyl-1,4-diazepan-2-yl)methanol?
The InChIKey is WRUYOZQEFYNEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10-5-3-4-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3.
What are the key properties of (1-ethyl-1,4-diazepan-2-yl)methanol?
(1-ethyl-1,4-diazepan-2-yl)methanol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1,4-diazepan-2-yl)methanol is sourced from PubChem (CID 82240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).