1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one

C14H24N4O — CID 138391051

IUPAC1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C12CCN(CCC)CC2
InChIInChI=1S/C14H24N4O/c1-2-7-17-8-5-14(6-9-17)12(15)16-13(19)18(14)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,19)
InChIKeyIOKXXHHGYYKWRK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.64
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 138391051) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID138391051
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C12CCN(CCC)CC2
InChIInChI=1S/C14H24N4O/c1-2-7-17-8-5-14(6-9-17)12(15)16-13(19)18(14)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,19)
InChIKeyIOKXXHHGYYKWRK-UHFFFAOYSA-N
XLogP1.64
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one 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-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 138391051) is 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C12CCN(CCC)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is IOKXXHHGYYKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-7-17-8-5-14(6-9-17)12(15)16-13(19)18(14)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138391051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).