N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine

C10H12N2 — CID 153469220

IUPACN,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine
SMILESCC#CN(C)C#CN(C)C#CC
InChIInChI=1S/C10H12N2/c1-5-7-11(3)9-10-12(4)8-6-2/h1-4H3
InChIKeyPOKLZJDPZWVVNI-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.73
Rot. Bonds

About N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine

N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine (PubChem CID 153469220) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine
PubChem CID153469220
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine
SMILESCC#CN(C)C#CN(C)C#CC
InChIInChI=1S/C10H12N2/c1-5-7-11(3)9-10-12(4)8-6-2/h1-4H3
InChIKeyPOKLZJDPZWVVNI-UHFFFAOYSA-N
XLogP0.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-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 N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine (CID 153469220) is N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine is CC#CN(C)C#CN(C)C#CC.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine?
The InChIKey is POKLZJDPZWVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-5-7-11(3)9-10-12(4)8-6-2/h1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine?
N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine has a molecular weight of 160.22 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(prop-1-ynyl)ethyne-1,2-diamine is sourced from PubChem (CID 153469220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).