5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine

C8H17N3 — CID 87450565

IUPAC5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCN=C=N
InChIInChI=1S/C8H17N3/c1-8(2,3-5-9)4-6-11-7-10/h10H,3-6,9H2,1-2H3
InChIKeyPKRAAKOVCALKOZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds5

About 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine

5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine (PubChem CID 87450565) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
PubChem CID87450565
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCN=C=N
InChIInChI=1S/C8H17N3/c1-8(2,3-5-9)4-6-11-7-10/h10H,3-6,9H2,1-2H3
InChIKeyPKRAAKOVCALKOZ-UHFFFAOYSA-N
XLogP1.50
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(iminomethylideneamino)-3,3-dimethylpentan-1-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 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine (CID 87450565) is 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine is CC(C)(CCN)CCN=C=N.
What is the InChIKey of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The InChIKey is PKRAAKOVCALKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2,3-5-9)4-6-11-7-10/h10H,3-6,9H2,1-2H3.
What are the key properties of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 87450565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).