(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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Related Compounds

1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine
CID 137401550
(4S)-1-fluoro-1,3,4,7-tetramethyl-2,3,4,5-tetrahydroazepin-1-ium
CID 169852025
N,N,4,5-tetramethylcyclohexen-1-amine
CID 68204527
N-[(Z)-3-cyclohex-3-en-1-ylprop-2-enyl]-3,3-dimethyl-N-(2-methylpropyl)but-1-en-2-amine
CID 68302077
N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]pent-1-en-2-amine
CID 68302097
N-(1-cyclopropylethenyl)-2-methyl-N-[[2-[(Z)-non-3-enyl]cyclopropyl]methyl]propan-1-amine
CID 68302113
3-cyclohex-3-en-1-yl-N-(1-cyclopropylethenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 68302140
N-(cyclopropylmethyl)-2,3,3,7-tetramethyl-N-pent-1-en-2-yloct-6-en-1-amine
CID 68302145
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 68302153
(Z)-N-[[2-[(Z)-hex-3-enyl]-1-methylcyclopropyl]methyl]-N-methylbut-2-en-2-amine
CID 68302213
3-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpent-1-en-2-amine
CID 68302217
N-(cyclopropylmethyl)-2,3,7-trimethyl-N-(3-methylbut-1-en-2-yl)oct-6-en-1-amine
CID 68302220

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).