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

C8H16N2 — CID 23269104

IUPAC1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
SMILESC#CC(CN(C)C)N(C)C
InChIInChI=1S/C8H16N2/c1-6-8(10(4)5)7-9(2)3/h1,8H,7H2,2-5H3
InChIKeyWOWHNEIJUZXCHN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.11
Rot. Bonds3

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

1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine (PubChem CID 23269104) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
PubChem CID23269104
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
SMILESC#CC(CN(C)C)N(C)C
InChIInChI=1S/C8H16N2/c1-6-8(10(4)5)7-9(2)3/h1,8H,7H2,2-5H3
InChIKeyWOWHNEIJUZXCHN-UHFFFAOYSA-N
XLogP0.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylhex-5-en-1-yn-3-amine
CID 45087173
1-N,1-N-dimethylbut-3-yne-1,2-diamine
CID 79095341
5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine
CID 23269671
1-N,1-N-dimethylpent-4-yne-1,2-diamine
CID 79095343
2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
3-(dimethylamino)undec-1-yn-5-one
CID 21312638
1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
CID 79093589
1,3-bis(dimethylamino)propane-2-thiol
CID 13474082
tert-butyl(pent-1-yn-3-yl)carbamic acid
CID 87498438
2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine
CID 156812983
CID 21287725
CID 21287725
1-N,1-N,2-N,2-N,4-N,4-N-hexamethylbutane-1,2,4-triamine
CID 151532643

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine (CID 23269104) is 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine is C#CC(CN(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine?
The InChIKey is WOWHNEIJUZXCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-8(10(4)5)7-9(2)3/h1,8H,7H2,2-5H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine?
1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine is sourced from PubChem (CID 23269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).