5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine

C18H35N — CID 88934309

IUPAC5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine
SMILESC=CCCCC(=CC(CC)CC(C)(C)C)CCNC
InChIInChI=1S/C18H35N/c1-7-9-10-11-17(12-13-19-6)14-16(8-2)15-18(3,4)5/h7,14,16,19H,1,8-13,15H2,2-6H3
InChIKeyQUJLWIYPMLEEKL-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.34
Rot. Bonds10

About 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine

5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine (PubChem CID 88934309) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine.

Molecular Properties

Compound Name5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine
PubChem CID88934309
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine
SMILESC=CCCCC(=CC(CC)CC(C)(C)C)CCNC
InChIInChI=1S/C18H35N/c1-7-9-10-11-17(12-13-19-6)14-16(8-2)15-18(3,4)5/h7,14,16,19H,1,8-13,15H2,2-6H3
InChIKeyQUJLWIYPMLEEKL-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.34
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 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine?
The IUPAC name of 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine (CID 88934309) is 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine.
What is the SMILES notation for 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine?
The canonical SMILES for 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine is C=CCCCC(=CC(CC)CC(C)(C)C)CCNC.
What is the InChIKey of 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine?
The InChIKey is QUJLWIYPMLEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-9-10-11-17(12-13-19-6)14-16(8-2)15-18(3,4)5/h7,14,16,19H,1,8-13,15H2,2-6H3.
What are the key properties of 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine?
5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine is sourced from PubChem (CID 88934309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).