N-ethyl-5,7,8-trimethyltridec-10-en-1-amine

C18H37N — CID 90742911

IUPACN-ethyl-5,7,8-trimethyltridec-10-en-1-amine
SMILESCCC=CCC(C)C(C)CC(C)CCCCNCC
InChIInChI=1S/C18H37N/c1-6-8-9-13-17(4)18(5)15-16(3)12-10-11-14-19-7-2/h8-9,16-19H,6-7,10-15H2,1-5H3
InChIKeySDHQKKGREFANJD-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.42
Rot. Bonds12

About N-ethyl-5,7,8-trimethyltridec-10-en-1-amine

N-ethyl-5,7,8-trimethyltridec-10-en-1-amine (PubChem CID 90742911) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-ethyl-5,7,8-trimethyltridec-10-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5,7,8-trimethyltridec-10-en-1-amine
PubChem CID90742911
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-ethyl-5,7,8-trimethyltridec-10-en-1-amine
SMILESCCC=CCC(C)C(C)CC(C)CCCCNCC
InChIInChI=1S/C18H37N/c1-6-8-9-13-17(4)18(5)15-16(3)12-10-11-14-19-7-2/h8-9,16-19H,6-7,10-15H2,1-5H3
InChIKeySDHQKKGREFANJD-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.42
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-5,7,8-trimethyltridec-10-en-1-amine?
The IUPAC name of N-ethyl-5,7,8-trimethyltridec-10-en-1-amine (CID 90742911) is N-ethyl-5,7,8-trimethyltridec-10-en-1-amine.
What is the SMILES notation for N-ethyl-5,7,8-trimethyltridec-10-en-1-amine?
The canonical SMILES for N-ethyl-5,7,8-trimethyltridec-10-en-1-amine is CCC=CCC(C)C(C)CC(C)CCCCNCC.
What is the InChIKey of N-ethyl-5,7,8-trimethyltridec-10-en-1-amine?
The InChIKey is SDHQKKGREFANJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-8-9-13-17(4)18(5)15-16(3)12-10-11-14-19-7-2/h8-9,16-19H,6-7,10-15H2,1-5H3.
What are the key properties of N-ethyl-5,7,8-trimethyltridec-10-en-1-amine?
N-ethyl-5,7,8-trimethyltridec-10-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7,8-trimethyltridec-10-en-1-amine is sourced from PubChem (CID 90742911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).