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

C3H8ClN — CID 71309403

IUPAC(1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride
SMILESCl.[13CH2]=[13CH][13CH2][15NH2]
InChIInChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H/i1+1,2+1,3+1,4+1;
InChIKeyMLGWTHRHHANFCC-UJNKEPEOSA-N
MW97.53 g/mol
LogP0.55
Rot. Bonds1

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

(1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride (PubChem CID 71309403) has the molecular formula C3H8ClN and a molecular weight of 97.53 g/mol. Its IUPAC name is (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride.

Molecular Properties

Compound Name(1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride
PubChem CID71309403
Molecular FormulaC3H8ClN
Molecular Weight97.53 g/mol
Exact Mass97.04
IUPAC Name(1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride
SMILESCl.[13CH2]=[13CH][13CH2][15NH2]
InChIInChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H/i1+1,2+1,3+1,4+1;
InChIKeyMLGWTHRHHANFCC-UJNKEPEOSA-N
XLogP0.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.53
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride?
The IUPAC name of (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride (CID 71309403) is (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride.
What is the SMILES notation for (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride?
The canonical SMILES for (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride is Cl.[13CH2]=[13CH][13CH2][15NH2].
What is the InChIKey of (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride?
The InChIKey is MLGWTHRHHANFCC-UJNKEPEOSA-N. The full InChI is InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H/i1+1,2+1,3+1,4+1;.
What are the key properties of (1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride?
(1,2,3-13C3)prop-2-en-1-(15N)amine;hydrochloride has a molecular weight of 97.53 g/mol, XLogP of 0.55, 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;hydrochloride is sourced from PubChem (CID 71309403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).