N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride

C5H15ClNO4P — CID 174858360

IUPACN,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
SMILESC=CCN(C)C.Cl.O=P(O)(O)O
InChIInChI=1S/C5H11N.ClH.H3O4P/c1-4-5-6(2)3;;1-5(2,3)4/h4H,1,5H2,2-3H3;1H;(H3,1,2,3,4)
InChIKeyVVVGFWZGXPSRCA-UHFFFAOYSA-N
MW219.60 g/mol
LogP0.23
Rot. Bonds2

About N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride

N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride (PubChem CID 174858360) has the molecular formula C5H15ClNO4P and a molecular weight of 219.60 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
PubChem CID174858360
Molecular FormulaC5H15ClNO4P
Molecular Weight219.60 g/mol
Exact Mass219.04
IUPAC NameN,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
SMILESC=CCN(C)C.Cl.O=P(O)(O)O
InChIInChI=1S/C5H11N.ClH.H3O4P/c1-4-5-6(2)3;;1-5(2,3)4/h4H,1,5H2,2-3H3;1H;(H3,1,2,3,4)
InChIKeyVVVGFWZGXPSRCA-UHFFFAOYSA-N
XLogP0.23
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.60
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
CID 87364859
acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride
CID 174830663
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine
CID 584619
phosphoric acid;prop-1-ene
CID 175586036
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride (CID 174858360) is N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride is C=CCN(C)C.Cl.O=P(O)(O)O.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride?
The InChIKey is VVVGFWZGXPSRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH.H3O4P/c1-4-5-6(2)3;;1-5(2,3)4/h4H,1,5H2,2-3H3;1H;(H3,1,2,3,4).
What are the key properties of N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride?
N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride has a molecular weight of 219.60 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride is sourced from PubChem (CID 174858360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).