[(E)-7-methyloctadec-8-enoxy]methanamine

C20H41NO — CID 155014981

IUPAC[(E)-7-methyloctadec-8-enoxy]methanamine
SMILESCCCCCCCCC/C=C/C(C)CCCCCCOCN
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-13-16-20(2)17-14-11-12-15-18-22-19-21/h13,16,20H,3-12,14-15,17-19,21H2,1-2H3/b16-13+
InChIKeyAZKCEYJCEFEGQD-DTQAZKPQSA-N
MW311.55 g/mol
LogP6.20
Rot. Bonds17

About [(E)-7-methyloctadec-8-enoxy]methanamine

[(E)-7-methyloctadec-8-enoxy]methanamine (PubChem CID 155014981) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is [(E)-7-methyloctadec-8-enoxy]methanamine.

Molecular Properties

Compound Name[(E)-7-methyloctadec-8-enoxy]methanamine
PubChem CID155014981
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name[(E)-7-methyloctadec-8-enoxy]methanamine
SMILESCCCCCCCCC/C=C/C(C)CCCCCCOCN
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-13-16-20(2)17-14-11-12-15-18-22-19-21/h13,16,20H,3-12,14-15,17-19,21H2,1-2H3/b16-13+
InChIKeyAZKCEYJCEFEGQD-DTQAZKPQSA-N
XLogP6.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-methyl-1-propoxyoctadec-8-ene
CID 126586442
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
[(Z)-9-methylpentadec-10-enyl] acetate
CID 5364576
heptadecoxymethanamine
CID 134173154
(E)-3-methylundec-4-en-1-ol
CID 121006781
9-methyloctadec-10-enylcyclobutane
CID 123534586
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797

Frequently Asked Questions

What is the IUPAC name of [(E)-7-methyloctadec-8-enoxy]methanamine?
The IUPAC name of [(E)-7-methyloctadec-8-enoxy]methanamine (CID 155014981) is [(E)-7-methyloctadec-8-enoxy]methanamine.
What is the SMILES notation for [(E)-7-methyloctadec-8-enoxy]methanamine?
The canonical SMILES for [(E)-7-methyloctadec-8-enoxy]methanamine is CCCCCCCCC/C=C/C(C)CCCCCCOCN.
What is the InChIKey of [(E)-7-methyloctadec-8-enoxy]methanamine?
The InChIKey is AZKCEYJCEFEGQD-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-13-16-20(2)17-14-11-12-15-18-22-19-21/h13,16,20H,3-12,14-15,17-19,21H2,1-2H3/b16-13+.
What are the key properties of [(E)-7-methyloctadec-8-enoxy]methanamine?
[(E)-7-methyloctadec-8-enoxy]methanamine has a molecular weight of 311.55 g/mol, XLogP of 6.20, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-methyloctadec-8-enoxy]methanamine is sourced from PubChem (CID 155014981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).