3-ethyl-1-octyl-1,4-diazepane

C15H32N2 — CID 64871697

IUPAC3-ethyl-1-octyl-1,4-diazepane
SMILESCCCCCCCCN1CCCNC(CC)C1
InChIInChI=1S/C15H32N2/c1-3-5-6-7-8-9-12-17-13-10-11-16-15(4-2)14-17/h15-16H,3-14H2,1-2H3
InChIKeyLBOLMYNFEYKECJ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About 3-ethyl-1-octyl-1,4-diazepane

3-ethyl-1-octyl-1,4-diazepane (PubChem CID 64871697) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-ethyl-1-octyl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-octyl-1,4-diazepane
PubChem CID64871697
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-ethyl-1-octyl-1,4-diazepane
SMILESCCCCCCCCN1CCCNC(CC)C1
InChIInChI=1S/C15H32N2/c1-3-5-6-7-8-9-12-17-13-10-11-16-15(4-2)14-17/h15-16H,3-14H2,1-2H3
InChIKeyLBOLMYNFEYKECJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-octyl-1,4-diazepane 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

3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
3-ethyl-1-pentylpiperazine
CID 64832988
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
3-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-1,4-diazepane
CID 64949634
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623
1,3-dipropyl-1,4-diazepane
CID 64870092
3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64871501
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
3-ethyl-1-heptylpiperidine
CID 171569576
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-octyl-1,4-diazepane?
The IUPAC name of 3-ethyl-1-octyl-1,4-diazepane (CID 64871697) is 3-ethyl-1-octyl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-octyl-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-octyl-1,4-diazepane is CCCCCCCCN1CCCNC(CC)C1.
What is the InChIKey of 3-ethyl-1-octyl-1,4-diazepane?
The InChIKey is LBOLMYNFEYKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-6-7-8-9-12-17-13-10-11-16-15(4-2)14-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-1-octyl-1,4-diazepane?
3-ethyl-1-octyl-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-octyl-1,4-diazepane is sourced from PubChem (CID 64871697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).