1-N,1-N-dimethylbut-3-yne-1,2-diamine

C6H12N2 — CID 79095341

IUPAC1-N,1-N-dimethylbut-3-yne-1,2-diamine
SMILESC#CC(N)CN(C)C
InChIInChI=1S/C6H12N2/c1-4-6(7)5-8(2)3/h1,6H,5,7H2,2-3H3
InChIKeyWIZUAYCPFRCAMD-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.49
Rot. Bonds2

About 1-N,1-N-dimethylbut-3-yne-1,2-diamine

1-N,1-N-dimethylbut-3-yne-1,2-diamine (PubChem CID 79095341) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-N,1-N-dimethylbut-3-yne-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethylbut-3-yne-1,2-diamine
PubChem CID79095341
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-N,1-N-dimethylbut-3-yne-1,2-diamine
SMILESC#CC(N)CN(C)C
InChIInChI=1S/C6H12N2/c1-4-6(7)5-8(2)3/h1,6H,5,7H2,2-3H3
InChIKeyWIZUAYCPFRCAMD-UHFFFAOYSA-N
XLogP-0.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-dimethylpent-4-yne-1,2-diamine
CID 79095343
1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
CID 23269104
pent-1-yn-3-amine;hydrochloride
CID 75480843
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
1-hydrazinyl-N',N'-dimethylethane-1,2-diamine
CID 57104181
2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
(3S)-4-methylpent-1-yn-3-amine
CID 11579133
1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
CID 79093589
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
5-propoxypent-1-yn-3-amine
CID 105158278
1-N'-ethynyl-1-N'-methylethane-1,1-diamine
CID 173144739
1-N,1-N,3,3-tetramethylpentane-1,2-diamine
CID 130586228

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylbut-3-yne-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethylbut-3-yne-1,2-diamine (CID 79095341) is 1-N,1-N-dimethylbut-3-yne-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethylbut-3-yne-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethylbut-3-yne-1,2-diamine is C#CC(N)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethylbut-3-yne-1,2-diamine?
The InChIKey is WIZUAYCPFRCAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(7)5-8(2)3/h1,6H,5,7H2,2-3H3.
What are the key properties of 1-N,1-N-dimethylbut-3-yne-1,2-diamine?
1-N,1-N-dimethylbut-3-yne-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylbut-3-yne-1,2-diamine is sourced from PubChem (CID 79095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).