1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H22ClN3O — CID 79502357

IUPAC1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CC2(CCO1)CN=C(N)N2c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-2-3-14-10-16(8-9-21-14)11-19-15(18)20(16)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H2,18,19)
InChIKeyYFKGAMPJRMJFJM-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79502357) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79502357
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CC2(CCO1)CN=C(N)N2c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-2-3-14-10-16(8-9-21-14)11-19-15(18)20(16)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H2,18,19)
InChIKeyYFKGAMPJRMJFJM-UHFFFAOYSA-N
XLogP3.19
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79502357) is 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCC1CC2(CCO1)CN=C(N)N2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YFKGAMPJRMJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-2-3-14-10-16(8-9-21-14)11-19-15(18)20(16)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H2,18,19).
What are the key properties of 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 307.82 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79502357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).