2-ethynylcyclopropan-1-amine

C5H7N — CID 131510180

IUPAC2-ethynylcyclopropan-1-amine
SMILESC#CC1CC1N
InChIInChI=1S/C5H7N/c1-2-4-3-5(4)6/h1,4-5H,3,6H2
InChIKeyOWMGVYBSPWDSPH-UHFFFAOYSA-N
MW81.12 g/mol
LogP-0.03
Rot. Bonds

About 2-ethynylcyclopropan-1-amine

2-ethynylcyclopropan-1-amine (PubChem CID 131510180) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-ethynylcyclopropan-1-amine.

Molecular Properties

Compound Name2-ethynylcyclopropan-1-amine
PubChem CID131510180
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-ethynylcyclopropan-1-amine
SMILESC#CC1CC1N
InChIInChI=1S/C5H7N/c1-2-4-3-5(4)6/h1,4-5H,3,6H2
InChIKeyOWMGVYBSPWDSPH-UHFFFAOYSA-N
XLogP-0.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-aminocyclopropane-1-carbonitrile;hydrochloride
CID 154574514
3-ethynylcyclobutan-1-amine
CID 136576216
1-[(2-ethynylcyclopropyl)methyl]aziridine
CID 163552531
5-ethynylbicyclo[2.2.2]oct-2-ene
CID 12662373
3-ethyl-4-ethynylcyclopentan-1-one
CID 88890154
3-ethynylcyclohexan-1-amine
CID 134515034
[(1R,2R)-2-aminocyclopropyl]azanium
CID 86306440
CID 59161494
CID 59161494
2-fluorocyclopropan-1-amine
CID 10197614
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
(1R)-1-ethynyl-2-methylcyclohexane
CID 145137391

Frequently Asked Questions

What is the IUPAC name of 2-ethynylcyclopropan-1-amine?
The IUPAC name of 2-ethynylcyclopropan-1-amine (CID 131510180) is 2-ethynylcyclopropan-1-amine.
What is the SMILES notation for 2-ethynylcyclopropan-1-amine?
The canonical SMILES for 2-ethynylcyclopropan-1-amine is C#CC1CC1N.
What is the InChIKey of 2-ethynylcyclopropan-1-amine?
The InChIKey is OWMGVYBSPWDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-3-5(4)6/h1,4-5H,3,6H2.
What are the key properties of 2-ethynylcyclopropan-1-amine?
2-ethynylcyclopropan-1-amine has a molecular weight of 81.12 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylcyclopropan-1-amine is sourced from PubChem (CID 131510180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).