17-methyl-N-prop-2-enyloctadecan-1-amine

C22H45N — CID 153323392

IUPAC17-methyl-N-prop-2-enyloctadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H45N/c1-4-20-23-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22(2)3/h4,22-23H,1,5-21H2,2-3H3
InChIKeyDDGICTVKIAICBV-UHFFFAOYSA-N
MW323.61 g/mol
LogP7.27
Rot. Bonds19

About 17-methyl-N-prop-2-enyloctadecan-1-amine

17-methyl-N-prop-2-enyloctadecan-1-amine (PubChem CID 153323392) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is 17-methyl-N-prop-2-enyloctadecan-1-amine.

Molecular Properties

Compound Name17-methyl-N-prop-2-enyloctadecan-1-amine
PubChem CID153323392
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name17-methyl-N-prop-2-enyloctadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H45N/c1-4-20-23-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22(2)3/h4,22-23H,1,5-21H2,2-3H3
InChIKeyDDGICTVKIAICBV-UHFFFAOYSA-N
XLogP7.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.27
H-Bond Donors ≤ 51
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

3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
5-(prop-2-enylamino)pentan-2-ol
CID 55286599
N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine
CID 107900191
N-prop-2-enyltridecan-1-amine
CID 22467882
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
CID 106153268
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
26-methylheptacos-1-ene
CID 154926473

Frequently Asked Questions

What is the IUPAC name of 17-methyl-N-prop-2-enyloctadecan-1-amine?
The IUPAC name of 17-methyl-N-prop-2-enyloctadecan-1-amine (CID 153323392) is 17-methyl-N-prop-2-enyloctadecan-1-amine.
What is the SMILES notation for 17-methyl-N-prop-2-enyloctadecan-1-amine?
The canonical SMILES for 17-methyl-N-prop-2-enyloctadecan-1-amine is C=CCNCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 17-methyl-N-prop-2-enyloctadecan-1-amine?
The InChIKey is DDGICTVKIAICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-4-20-23-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22(2)3/h4,22-23H,1,5-21H2,2-3H3.
What are the key properties of 17-methyl-N-prop-2-enyloctadecan-1-amine?
17-methyl-N-prop-2-enyloctadecan-1-amine has a molecular weight of 323.61 g/mol, XLogP of 7.27, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-N-prop-2-enyloctadecan-1-amine is sourced from PubChem (CID 153323392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).