2-ethyl-N-methyl-8-propylundec-4-en-1-amine

C17H35N — CID 90799351

IUPAC2-ethyl-N-methyl-8-propylundec-4-en-1-amine
SMILESCCCC(CCC)CCC=CCC(CC)CNC
InChIInChI=1S/C17H35N/c1-5-11-17(12-6-2)14-10-8-9-13-16(7-3)15-18-4/h8-9,16-18H,5-7,10-15H2,1-4H3
InChIKeyRTAKTQDSUAIEAG-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.17
Rot. Bonds12

About 2-ethyl-N-methyl-8-propylundec-4-en-1-amine

2-ethyl-N-methyl-8-propylundec-4-en-1-amine (PubChem CID 90799351) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-ethyl-N-methyl-8-propylundec-4-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-8-propylundec-4-en-1-amine
PubChem CID90799351
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-ethyl-N-methyl-8-propylundec-4-en-1-amine
SMILESCCCC(CCC)CCC=CCC(CC)CNC
InChIInChI=1S/C17H35N/c1-5-11-17(12-6-2)14-10-8-9-13-16(7-3)15-18-4/h8-9,16-18H,5-7,10-15H2,1-4H3
InChIKeyRTAKTQDSUAIEAG-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-8-propylundec-4-en-1-amine?
The IUPAC name of 2-ethyl-N-methyl-8-propylundec-4-en-1-amine (CID 90799351) is 2-ethyl-N-methyl-8-propylundec-4-en-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-8-propylundec-4-en-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-8-propylundec-4-en-1-amine is CCCC(CCC)CCC=CCC(CC)CNC.
What is the InChIKey of 2-ethyl-N-methyl-8-propylundec-4-en-1-amine?
The InChIKey is RTAKTQDSUAIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-11-17(12-6-2)14-10-8-9-13-16(7-3)15-18-4/h8-9,16-18H,5-7,10-15H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-8-propylundec-4-en-1-amine?
2-ethyl-N-methyl-8-propylundec-4-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-8-propylundec-4-en-1-amine is sourced from PubChem (CID 90799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).