propa-1,2-dien-1-amine;hydrochloride

C3H6ClN — CID 176533859

IUPACpropa-1,2-dien-1-amine;hydrochloride
SMILESC=C=CN.Cl
InChIInChI=1S/C3H5N.ClH/c1-2-3-4;/h3H,1,4H2;1H
InChIKeySDDVMDNRKILMFB-UHFFFAOYSA-N
MW91.54 g/mol
LogP0.67
Rot. Bonds

About propa-1,2-dien-1-amine;hydrochloride

propa-1,2-dien-1-amine;hydrochloride (PubChem CID 176533859) has the molecular formula C3H6ClN and a molecular weight of 91.54 g/mol. Its IUPAC name is propa-1,2-dien-1-amine;hydrochloride.

Molecular Properties

Compound Namepropa-1,2-dien-1-amine;hydrochloride
PubChem CID176533859
Molecular FormulaC3H6ClN
Molecular Weight91.54 g/mol
Exact Mass91.02
IUPAC Namepropa-1,2-dien-1-amine;hydrochloride
SMILESC=C=CN.Cl
InChIInChI=1S/C3H5N.ClH/c1-2-3-4;/h3H,1,4H2;1H
InChIKeySDDVMDNRKILMFB-UHFFFAOYSA-N
XLogP0.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.54
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-dien-1-amine;hydrochloride?
The IUPAC name of propa-1,2-dien-1-amine;hydrochloride (CID 176533859) is propa-1,2-dien-1-amine;hydrochloride.
What is the SMILES notation for propa-1,2-dien-1-amine;hydrochloride?
The canonical SMILES for propa-1,2-dien-1-amine;hydrochloride is C=C=CN.Cl.
What is the InChIKey of propa-1,2-dien-1-amine;hydrochloride?
The InChIKey is SDDVMDNRKILMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N.ClH/c1-2-3-4;/h3H,1,4H2;1H.
What are the key properties of propa-1,2-dien-1-amine;hydrochloride?
propa-1,2-dien-1-amine;hydrochloride has a molecular weight of 91.54 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-dien-1-amine;hydrochloride is sourced from PubChem (CID 176533859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).