(1,2,3-13C3)prop-2-en-1-(15N)amine

C3H7N — CID 71309404

IUPAC(1,2,3-13C3)prop-2-en-1-(15N)amine
SMILES[13CH2]=[13CH][13CH2][15NH2]
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2/i1+1,2+1,3+1,4+1
InChIKeyVVJKKWFAADXIJK-JCDJMFQYSA-N
MW61.07 g/mol
LogP0.13
Rot. Bonds1

About (1,2,3-13C3)prop-2-en-1-(15N)amine

(1,2,3-13C3)prop-2-en-1-(15N)amine (PubChem CID 71309404) has the molecular formula C3H7N and a molecular weight of 61.07 g/mol. Its IUPAC name is (1,2,3-13C3)prop-2-en-1-(15N)amine.

Molecular Properties

Compound Name(1,2,3-13C3)prop-2-en-1-(15N)amine
PubChem CID71309404
Molecular FormulaC3H7N
Molecular Weight61.07 g/mol
Exact Mass61.06
IUPAC Name(1,2,3-13C3)prop-2-en-1-(15N)amine
SMILES[13CH2]=[13CH][13CH2][15NH2]
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2/i1+1,2+1,3+1,4+1
InChIKeyVVJKKWFAADXIJK-JCDJMFQYSA-N
XLogP0.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.07
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allylamine
CID 7853
Allylamine hydrochloride
CID 82291
Buta-2,3-dien-1-amine
CID 10329243
(e)-3-Fluoroallylamine
CID 19800330
Fluoro-2-propen-1-amine
CID 21915321
Fluoroallylamine
CID 23199519
Prop-2-enylazanium
CID 5153084
Prop-2-enylazanium chloride
CID 11083829
Hydron;prop-2-en-1-amine;chloride
CID 92017980
(~13~C_3_)Prop-2-en-1-(~15~N)amine--hydrogen chloride (1/1)
CID 71309403
Lithium prop-2-enylazanide
CID 11366947
N-chloroprop-2-en-1-amine
CID 12815214

Frequently Asked Questions

What is the IUPAC name of (1,2,3-13C3)prop-2-en-1-(15N)amine?
The IUPAC name of (1,2,3-13C3)prop-2-en-1-(15N)amine (CID 71309404) is (1,2,3-13C3)prop-2-en-1-(15N)amine.
What is the SMILES notation for (1,2,3-13C3)prop-2-en-1-(15N)amine?
The canonical SMILES for (1,2,3-13C3)prop-2-en-1-(15N)amine is [13CH2]=[13CH][13CH2][15NH2].
What is the InChIKey of (1,2,3-13C3)prop-2-en-1-(15N)amine?
The InChIKey is VVJKKWFAADXIJK-JCDJMFQYSA-N. The full InChI is InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2/i1+1,2+1,3+1,4+1.
What are the key properties of (1,2,3-13C3)prop-2-en-1-(15N)amine?
(1,2,3-13C3)prop-2-en-1-(15N)amine has a molecular weight of 61.07 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3-13C3)prop-2-en-1-(15N)amine is sourced from PubChem (CID 71309404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).