1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C18H27N3 — CID 79498144

IUPAC1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-2-6-15-9-11-18(12-10-15)14-20-17(19)21(18)13-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,19,20)
InChIKeyJZRVAJTXWWYAQP-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.55
Rot. Bonds4

About 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498144) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498144
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-2-6-15-9-11-18(12-10-15)14-20-17(19)21(18)13-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,19,20)
InChIKeyJZRVAJTXWWYAQP-UHFFFAOYSA-N
XLogP3.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-8-propyl-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-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498144) is 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCC1CCC2(CC1)CN=C(N)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JZRVAJTXWWYAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-6-15-9-11-18(12-10-15)14-20-17(19)21(18)13-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,19,20).
What are the key properties of 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).