(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine

C18H35N — CID 18717522

IUPAC(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine
SMILESC=C(C(C)C(C)CC)N(CC)CC/C=C/CCCC
InChIInChI=1S/C18H35N/c1-7-10-11-12-13-14-15-19(9-3)18(6)17(5)16(4)8-2/h12-13,16-17H,6-11,14-15H2,1-5H3/b13-12+
InChIKeySGPRLYDIAKHIFO-OUKQBFOZSA-N
MW265.48 g/mol
LogP5.64
Rot. Bonds11

About (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine

(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine (PubChem CID 18717522) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine
PubChem CID18717522
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine
SMILESC=C(C(C)C(C)CC)N(CC)CC/C=C/CCCC
InChIInChI=1S/C18H35N/c1-7-10-11-12-13-14-15-19(9-3)18(6)17(5)16(4)8-2/h12-13,16-17H,6-11,14-15H2,1-5H3/b13-12+
InChIKeySGPRLYDIAKHIFO-OUKQBFOZSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
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 (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine?
The IUPAC name of (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine (CID 18717522) is (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine.
What is the SMILES notation for (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine?
The canonical SMILES for (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine is C=C(C(C)C(C)CC)N(CC)CC/C=C/CCCC.
What is the InChIKey of (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine?
The InChIKey is SGPRLYDIAKHIFO-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H35N/c1-7-10-11-12-13-14-15-19(9-3)18(6)17(5)16(4)8-2/h12-13,16-17H,6-11,14-15H2,1-5H3/b13-12+.
What are the key properties of (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine?
(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine is sourced from PubChem (CID 18717522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).