1-N,1-N-dimethylpent-4-yne-1,2-diamine

C7H14N2 — CID 79095343

IUPAC1-N,1-N-dimethylpent-4-yne-1,2-diamine
SMILESC#CCC(N)CN(C)C
InChIInChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h1,7H,5-6,8H2,2-3H3
InChIKeyRNUHLRUHYHHNEC-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds3

About 1-N,1-N-dimethylpent-4-yne-1,2-diamine

1-N,1-N-dimethylpent-4-yne-1,2-diamine (PubChem CID 79095343) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-N,1-N-dimethylpent-4-yne-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethylpent-4-yne-1,2-diamine
PubChem CID79095343
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-N,1-N-dimethylpent-4-yne-1,2-diamine
SMILESC#CCC(N)CN(C)C
InChIInChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h1,7H,5-6,8H2,2-3H3
InChIKeyRNUHLRUHYHHNEC-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.10
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-dimethylbut-3-yne-1,2-diamine
CID 79095341
1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
CID 79093589
hept-6-yne-2,4-diamine
CID 87584005
hept-6-yne-1,4-diamine
CID 174445118
2-amino-N-hydroxy-N-methylpent-4-ynamide
CID 130884466
3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
CID 79570499
1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
CID 23269104
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-N,1-N-dimethyl-4-methylsulfonylbutane-1,2-diamine
CID 79093869
1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
CID 114475319
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylpent-4-yne-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethylpent-4-yne-1,2-diamine (CID 79095343) is 1-N,1-N-dimethylpent-4-yne-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethylpent-4-yne-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethylpent-4-yne-1,2-diamine is C#CCC(N)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethylpent-4-yne-1,2-diamine?
The InChIKey is RNUHLRUHYHHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-7(8)6-9(2)3/h1,7H,5-6,8H2,2-3H3.
What are the key properties of 1-N,1-N-dimethylpent-4-yne-1,2-diamine?
1-N,1-N-dimethylpent-4-yne-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylpent-4-yne-1,2-diamine is sourced from PubChem (CID 79095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).