N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride

C22H46ClN — CID 173181442

IUPACN-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
SMILESC=CCN(C)CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C22H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2;/h5H,2,4,6-22H2,1,3H3;1H
InChIKeyCGJNCJSPWNMADS-UHFFFAOYSA-N
MW360.07 g/mol
LogP7.79
Rot. Bonds19

About N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride

N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride (PubChem CID 173181442) has the molecular formula C22H46ClN and a molecular weight of 360.07 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
PubChem CID173181442
Molecular FormulaC22H46ClN
Molecular Weight360.07 g/mol
Exact Mass359.33
IUPAC NameN-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
SMILESC=CCN(C)CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C22H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2;/h5H,2,4,6-22H2,1,3H3;1H
InChIKeyCGJNCJSPWNMADS-UHFFFAOYSA-N
XLogP7.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 57.79
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-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
(Z)-N-methyl-N-prop-2-enylnonadec-10-en-1-amine
CID 174909012
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
but-1-ene;ethane;N-heptyl-N-methylheptan-1-amine
CID 172567126
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N'-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 21122644
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride (CID 173181442) is N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride is C=CCN(C)CCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride?
The InChIKey is CGJNCJSPWNMADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2;/h5H,2,4,6-22H2,1,3H3;1H.
What are the key properties of N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride?
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride has a molecular weight of 360.07 g/mol, XLogP of 7.79, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride is sourced from PubChem (CID 173181442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).