2-heptadec-8-enoxy-N-methylethanamine

C20H41NO — CID 72521648

IUPAC2-heptadec-8-enoxy-N-methylethanamine
SMILESCCCCCCCCC=CCCCCCCCOCCNC
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
InChIKeyYZWKPJOCROPYMN-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.87
Rot. Bonds18

About 2-heptadec-8-enoxy-N-methylethanamine

2-heptadec-8-enoxy-N-methylethanamine (PubChem CID 72521648) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 2-heptadec-8-enoxy-N-methylethanamine.

Molecular Properties

Compound Name2-heptadec-8-enoxy-N-methylethanamine
PubChem CID72521648
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name2-heptadec-8-enoxy-N-methylethanamine
SMILESCCCCCCCCC=CCCCCCCCOCCNC
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
InChIKeyYZWKPJOCROPYMN-UHFFFAOYSA-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

N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
(Z)-1-butoxyheptadec-8-ene
CID 87205101
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
(Z)-1-ethoxynonadec-9-ene
CID 87517612
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
(Z)-1-ethoxypentadec-7-ene
CID 87516958
15-ethoxypentadec-7-ene
CID 91170991

Frequently Asked Questions

What is the IUPAC name of 2-heptadec-8-enoxy-N-methylethanamine?
The IUPAC name of 2-heptadec-8-enoxy-N-methylethanamine (CID 72521648) is 2-heptadec-8-enoxy-N-methylethanamine.
What is the SMILES notation for 2-heptadec-8-enoxy-N-methylethanamine?
The canonical SMILES for 2-heptadec-8-enoxy-N-methylethanamine is CCCCCCCCC=CCCCCCCCOCCNC.
What is the InChIKey of 2-heptadec-8-enoxy-N-methylethanamine?
The InChIKey is YZWKPJOCROPYMN-UHFFFAOYSA-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.
What are the key properties of 2-heptadec-8-enoxy-N-methylethanamine?
2-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-heptadec-8-enoxy-N-methylethanamine is sourced from PubChem (CID 72521648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).