5-imino-4-methylpentan-2-amine

C6H14N2 — CID 123629957

IUPAC5-imino-4-methylpentan-2-amine
SMILES[H]/N=C/C(C)CC(C)N
InChIInChI=1S/C6H14N2/c1-5(4-7)3-6(2)8/h4-7H,3,8H2,1-2H3/b7-4+
InChIKeySISNYXPFYKUEKS-QPJJXVBHSA-N
MW114.19 g/mol
LogP1.01
Rot. Bonds3

About 5-imino-4-methylpentan-2-amine

5-imino-4-methylpentan-2-amine (PubChem CID 123629957) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 5-imino-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-imino-4-methylpentan-2-amine
PubChem CID123629957
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name5-imino-4-methylpentan-2-amine
SMILES[H]/N=C/C(C)CC(C)N
InChIInChI=1S/C6H14N2/c1-5(4-7)3-6(2)8/h4-7H,3,8H2,1-2H3/b7-4+
InChIKeySISNYXPFYKUEKS-QPJJXVBHSA-N
XLogP1.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-imino-4-methylpentan-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 5-imino-4-methylpentan-2-amine?
The IUPAC name of 5-imino-4-methylpentan-2-amine (CID 123629957) is 5-imino-4-methylpentan-2-amine.
What is the SMILES notation for 5-imino-4-methylpentan-2-amine?
The canonical SMILES for 5-imino-4-methylpentan-2-amine is [H]/N=C/C(C)CC(C)N.
What is the InChIKey of 5-imino-4-methylpentan-2-amine?
The InChIKey is SISNYXPFYKUEKS-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(4-7)3-6(2)8/h4-7H,3,8H2,1-2H3/b7-4+.
What are the key properties of 5-imino-4-methylpentan-2-amine?
5-imino-4-methylpentan-2-amine has a molecular weight of 114.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methylpentan-2-amine is sourced from PubChem (CID 123629957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).