3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane

C14H28N2O — CID 65177699

IUPAC3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane
SMILESCCOCCCN1CC(C2CC2)NCCC1C
InChIInChI=1S/C14H28N2O/c1-3-17-10-4-9-16-11-14(13-5-6-13)15-8-7-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyFETTUXHBJAUFAT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane

3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane (PubChem CID 65177699) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane
PubChem CID65177699
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane
SMILESCCOCCCN1CC(C2CC2)NCCC1C
InChIInChI=1S/C14H28N2O/c1-3-17-10-4-9-16-11-14(13-5-6-13)15-8-7-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyFETTUXHBJAUFAT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-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-cyclopropyl-7-methyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64871414
3-cyclopropyl-7-methyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871611
3-cyclohexyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83168863
1-(cyclopentylmethyl)-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870248
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-1,4-diazepane
CID 65442279
3,7-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64871954
3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016758
1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907669
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
1-[(2-bromophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64871020
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane (CID 65177699) is 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane is CCOCCCN1CC(C2CC2)NCCC1C.
What is the InChIKey of 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane?
The InChIKey is FETTUXHBJAUFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-17-10-4-9-16-11-14(13-5-6-13)15-8-7-12(16)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane?
3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane is sourced from PubChem (CID 65177699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).