N-ethyl-4-methyloctadec-11-en-3-amine

C21H43N — CID 54151698

IUPACN-ethyl-4-methyloctadec-11-en-3-amine
SMILESCCCCCCC=CCCCCCCC(C)C(CC)NCC
InChIInChI=1S/C21H43N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)21(6-2)22-7-3/h12-13,20-22H,5-11,14-19H2,1-4H3
InChIKeyHCWSMONHJNLAAQ-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.88
Rot. Bonds16

About N-ethyl-4-methyloctadec-11-en-3-amine

N-ethyl-4-methyloctadec-11-en-3-amine (PubChem CID 54151698) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N-ethyl-4-methyloctadec-11-en-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyloctadec-11-en-3-amine
PubChem CID54151698
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN-ethyl-4-methyloctadec-11-en-3-amine
SMILESCCCCCCC=CCCCCCCC(C)C(CC)NCC
InChIInChI=1S/C21H43N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)21(6-2)22-7-3/h12-13,20-22H,5-11,14-19H2,1-4H3
InChIKeyHCWSMONHJNLAAQ-UHFFFAOYSA-N
XLogP6.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.88
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyloctadec-11-en-3-amine?
The IUPAC name of N-ethyl-4-methyloctadec-11-en-3-amine (CID 54151698) is N-ethyl-4-methyloctadec-11-en-3-amine.
What is the SMILES notation for N-ethyl-4-methyloctadec-11-en-3-amine?
The canonical SMILES for N-ethyl-4-methyloctadec-11-en-3-amine is CCCCCCC=CCCCCCCC(C)C(CC)NCC.
What is the InChIKey of N-ethyl-4-methyloctadec-11-en-3-amine?
The InChIKey is HCWSMONHJNLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4)21(6-2)22-7-3/h12-13,20-22H,5-11,14-19H2,1-4H3.
What are the key properties of N-ethyl-4-methyloctadec-11-en-3-amine?
N-ethyl-4-methyloctadec-11-en-3-amine has a molecular weight of 309.58 g/mol, XLogP of 6.88, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyloctadec-11-en-3-amine is sourced from PubChem (CID 54151698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).