N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine

C8H12N2 — CID 137423436

IUPACN,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine
SMILESCN(C)C#CC#CN(C)C
InChIInChI=1S/C8H12N2/c1-9(2)7-5-6-8-10(3)4/h1-4H3
InChIKeyAODUEGHNOSJVSZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.03
Rot. Bonds

About N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine

N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine (PubChem CID 137423436) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine
PubChem CID137423436
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine
SMILESCN(C)C#CC#CN(C)C
InChIInChI=1S/C8H12N2/c1-9(2)7-5-6-8-10(3)4/h1-4H3
InChIKeyAODUEGHNOSJVSZ-UHFFFAOYSA-N
XLogP0.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine?
The IUPAC name of N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine (CID 137423436) is N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine.
What is the SMILES notation for N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine?
The canonical SMILES for N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine is CN(C)C#CC#CN(C)C.
What is the InChIKey of N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine?
The InChIKey is AODUEGHNOSJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9(2)7-5-6-8-10(3)4/h1-4H3.
What are the key properties of N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine?
N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine has a molecular weight of 136.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethylbuta-1,3-diyne-1,4-diamine is sourced from PubChem (CID 137423436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).