3-imino-6-(propan-2-ylideneamino)hexan-2-amine

C9H19N3 — CID 155364820

IUPAC3-imino-6-(propan-2-ylideneamino)hexan-2-amine
SMILES[H]/N=C(\CCCN=C(C)C)C(C)N
InChIInChI=1S/C9H19N3/c1-7(2)12-6-4-5-9(11)8(3)10/h8,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyWGYVMVRFLVGVFB-PKNBQFBNSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds5

About 3-imino-6-(propan-2-ylideneamino)hexan-2-amine

3-imino-6-(propan-2-ylideneamino)hexan-2-amine (PubChem CID 155364820) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-imino-6-(propan-2-ylideneamino)hexan-2-amine.

Molecular Properties

Compound Name3-imino-6-(propan-2-ylideneamino)hexan-2-amine
PubChem CID155364820
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-imino-6-(propan-2-ylideneamino)hexan-2-amine
SMILES[H]/N=C(\CCCN=C(C)C)C(C)N
InChIInChI=1S/C9H19N3/c1-7(2)12-6-4-5-9(11)8(3)10/h8,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyWGYVMVRFLVGVFB-PKNBQFBNSA-N
XLogP1.61
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-imino-6-(propan-2-ylideneamino)hexan-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 3-imino-6-(propan-2-ylideneamino)hexan-2-amine?
The IUPAC name of 3-imino-6-(propan-2-ylideneamino)hexan-2-amine (CID 155364820) is 3-imino-6-(propan-2-ylideneamino)hexan-2-amine.
What is the SMILES notation for 3-imino-6-(propan-2-ylideneamino)hexan-2-amine?
The canonical SMILES for 3-imino-6-(propan-2-ylideneamino)hexan-2-amine is [H]/N=C(\CCCN=C(C)C)C(C)N.
What is the InChIKey of 3-imino-6-(propan-2-ylideneamino)hexan-2-amine?
The InChIKey is WGYVMVRFLVGVFB-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)12-6-4-5-9(11)8(3)10/h8,11H,4-6,10H2,1-3H3/b11-9+.
What are the key properties of 3-imino-6-(propan-2-ylideneamino)hexan-2-amine?
3-imino-6-(propan-2-ylideneamino)hexan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-6-(propan-2-ylideneamino)hexan-2-amine is sourced from PubChem (CID 155364820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).