1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride

C7H16ClNO — CID 173390192

IUPAC1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
SMILESC=CCN(C)C(O)CC.Cl
InChIInChI=1S/C7H15NO.ClH/c1-4-6-8(3)7(9)5-2;/h4,7,9H,1,5-6H2,2-3H3;1H
InChIKeyYNFWNDCHZODIBJ-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.25
Rot. Bonds4

About 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride

1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride (PubChem CID 173390192) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
PubChem CID173390192
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
SMILESC=CCN(C)C(O)CC.Cl
InChIInChI=1S/C7H15NO.ClH/c1-4-6-8(3)7(9)5-2;/h4,7,9H,1,5-6H2,2-3H3;1H
InChIKeyYNFWNDCHZODIBJ-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
CID 141178163
N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine
CID 141178158
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
CID 130522843
N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
CID 174858360
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride (CID 173390192) is 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride is C=CCN(C)C(O)CC.Cl.
What is the InChIKey of 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride?
The InChIKey is YNFWNDCHZODIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-4-6-8(3)7(9)5-2;/h4,7,9H,1,5-6H2,2-3H3;1H.
What are the key properties of 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride?
1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 173390192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).