N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride

C23H50ClN — CID 174528085

IUPACN,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
SMILESC=CCN(C)C.CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C18H38.C5H11N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-5-6(2)3;/h3-18H2,1-2H3;4H,1,5H2,2-3H3;1H
InChIKeyTVKIGOINWCVOPW-UHFFFAOYSA-N
MW376.11 g/mol
LogP8.42
Rot. Bonds17

About N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride

N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride (PubChem CID 174528085) has the molecular formula C23H50ClN and a molecular weight of 376.11 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
PubChem CID174528085
Molecular FormulaC23H50ClN
Molecular Weight376.11 g/mol
Exact Mass375.36
IUPAC NameN,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
SMILESC=CCN(C)C.CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C18H38.C5H11N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-5-6(2)3;/h3-18H2,1-2H3;4H,1,5H2,2-3H3;1H
InChIKeyTVKIGOINWCVOPW-UHFFFAOYSA-N
XLogP8.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
CID 87364859
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-icosan-2-yl-N-prop-2-enylicosan-2-amine;hydrochloride
CID 175193055
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
oct-1-ene;tetrahydrochloride
CID 172847494

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride (CID 174528085) is N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride is C=CCN(C)C.CCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride?
The InChIKey is TVKIGOINWCVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C5H11N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-5-6(2)3;/h3-18H2,1-2H3;4H,1,5H2,2-3H3;1H.
What are the key properties of N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride?
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride has a molecular weight of 376.11 g/mol, XLogP of 8.42, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride is sourced from PubChem (CID 174528085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).