4-N,4-N'-dimethylpiperidine-4,4-diamine

C7H17N3 — CID 91177983

IUPAC4-N,4-N'-dimethylpiperidine-4,4-diamine
SMILESCNC1(NC)CCNCC1
InChIInChI=1S/C7H17N3/c1-8-7(9-2)3-5-10-6-4-7/h8-10H,3-6H2,1-2H3
InChIKeyTWLWAUAQOCCNDI-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.50
Rot. Bonds2

About 4-N,4-N'-dimethylpiperidine-4,4-diamine

4-N,4-N'-dimethylpiperidine-4,4-diamine (PubChem CID 91177983) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-N,4-N'-dimethylpiperidine-4,4-diamine.

Molecular Properties

Compound Name4-N,4-N'-dimethylpiperidine-4,4-diamine
PubChem CID91177983
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name4-N,4-N'-dimethylpiperidine-4,4-diamine
SMILESCNC1(NC)CCNCC1
InChIInChI=1S/C7H17N3/c1-8-7(9-2)3-5-10-6-4-7/h8-10H,3-6H2,1-2H3
InChIKeyTWLWAUAQOCCNDI-UHFFFAOYSA-N
XLogP-0.50
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-N,4-N'-dimethylpiperidine-4,4-diamine 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 4-N,4-N'-dimethylpiperidine-4,4-diamine?
The IUPAC name of 4-N,4-N'-dimethylpiperidine-4,4-diamine (CID 91177983) is 4-N,4-N'-dimethylpiperidine-4,4-diamine.
What is the SMILES notation for 4-N,4-N'-dimethylpiperidine-4,4-diamine?
The canonical SMILES for 4-N,4-N'-dimethylpiperidine-4,4-diamine is CNC1(NC)CCNCC1.
What is the InChIKey of 4-N,4-N'-dimethylpiperidine-4,4-diamine?
The InChIKey is TWLWAUAQOCCNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-8-7(9-2)3-5-10-6-4-7/h8-10H,3-6H2,1-2H3.
What are the key properties of 4-N,4-N'-dimethylpiperidine-4,4-diamine?
4-N,4-N'-dimethylpiperidine-4,4-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N'-dimethylpiperidine-4,4-diamine is sourced from PubChem (CID 91177983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).