2-[(Z)-heptadec-8-enoxy]-N-methylethanamine

C20H41NO — CID 59117586

IUPAC2-[(Z)-heptadec-8-enoxy]-N-methylethanamine
SMILESCCCCCCCC/C=C\CCCCCCCOCCNC
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-2/h10-11,21H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyYZWKPJOCROPYMN-KHPPLWFESA-N
MW311.55 g/mol
LogP5.87
Rot. Bonds18

About 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine

2-[(Z)-heptadec-8-enoxy]-N-methylethanamine (PubChem CID 59117586) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(Z)-heptadec-8-enoxy]-N-methylethanamine
PubChem CID59117586
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name2-[(Z)-heptadec-8-enoxy]-N-methylethanamine
SMILESCCCCCCCC/C=C\CCCCCCCOCCNC
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-2/h10-11,21H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyYZWKPJOCROPYMN-KHPPLWFESA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

9-Octadecenyl (Z)-N-methylaminoacetate
CID 6436362
O-arachidonyl ethanolamine
CID 87721487
Oleylcholinchlorid
CID 129639420
Oleylcholinjodid
CID 129639436
16-Ethoxyhexadec-9-en-1-amine
CID 109650
(E)-16-ethoxyhexadec-9-en-1-amine
CID 6437490
(E)-22-ethoxydocos-13-en-1-amine
CID 6450540
2-[2-[(E)-Octadec-6-enoxy]ethoxy]ethanamine
CID 139594606
2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine
CID 139595983
2-[(E)-octadec-6-enoxy]ethanamine
CID 139596631
Octadec-9-enyl 2-(methylamino)acetate
CID 82299
3-Octadeca-9,12-dienoxypropan-1-amine
CID 408914

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine?
The IUPAC name of 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine (CID 59117586) is 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine?
The canonical SMILES for 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine is CCCCCCCC/C=C\CCCCCCCOCCNC.
What is the InChIKey of 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine?
The InChIKey is YZWKPJOCROPYMN-KHPPLWFESA-N. The full InChI is InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-2/h10-11,21H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine?
2-[(Z)-heptadec-8-enoxy]-N-methylethanamine has a molecular weight of 311.55 g/mol, XLogP of 5.87, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-heptadec-8-enoxy]-N-methylethanamine is sourced from PubChem (CID 59117586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).