2-N-but-3-yn-2-ylpropane-1,2-diamine

C7H14N2 — CID 114415976

IUPAC2-N-but-3-yn-2-ylpropane-1,2-diamine
SMILESC#CC(C)NC(C)CN
InChIInChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h1,6-7,9H,5,8H2,2-3H3
InChIKeyUGEDWQMIWLAJMZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.06
Rot. Bonds3

About 2-N-but-3-yn-2-ylpropane-1,2-diamine

2-N-but-3-yn-2-ylpropane-1,2-diamine (PubChem CID 114415976) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-N-but-3-yn-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-ylpropane-1,2-diamine
PubChem CID114415976
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-N-but-3-yn-2-ylpropane-1,2-diamine
SMILESC#CC(C)NC(C)CN
InChIInChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h1,6-7,9H,5,8H2,2-3H3
InChIKeyUGEDWQMIWLAJMZ-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959
2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
CID 114416015
2-N-but-3-yn-2-ylnonane-1,2-diamine
CID 114415974
N-but-3-yn-2-yl-1-(3,5-dimethylphenyl)ethane-1,2-diamine
CID 114415987
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
N'-but-3-yn-2-ylethane-1,2-diamine
CID 15065593
N-but-3-yn-2-yl-1-(2,6-dichlorophenyl)ethane-1,2-diamine
CID 114416192
N-but-3-yn-2-yl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 114415883
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
N-but-3-yn-2-yl-1-(2,5-dimethylthiophen-3-yl)ethane-1,2-diamine
CID 114415852
N-but-3-yn-2-yl-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
CID 114415989
N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
CID 114416155

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-but-3-yn-2-ylpropane-1,2-diamine (CID 114415976) is 2-N-but-3-yn-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-but-3-yn-2-ylpropane-1,2-diamine is C#CC(C)NC(C)CN.
What is the InChIKey of 2-N-but-3-yn-2-ylpropane-1,2-diamine?
The InChIKey is UGEDWQMIWLAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h1,6-7,9H,5,8H2,2-3H3.
What are the key properties of 2-N-but-3-yn-2-ylpropane-1,2-diamine?
2-N-but-3-yn-2-ylpropane-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-yn-2-ylpropane-1,2-diamine is sourced from PubChem (CID 114415976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).