(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine

C17H25N — CID 143608288

IUPAC(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine
SMILESC/C=C(\C=C/C(C)N)C(CC)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-5-15(12-9-14(4)18)17(6-2)16-10-7-13(3)8-11-16/h5,7-12,14,17H,6,18H2,1-4H3/b12-9-,15-5+
InChIKeyFGLMCHYDYORGPB-GCRMBOBKSA-N
MW243.39 g/mol
LogP4.34
Rot. Bonds5

About (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine

(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine (PubChem CID 143608288) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine
PubChem CID143608288
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine
SMILESC/C=C(\C=C/C(C)N)C(CC)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-5-15(12-9-14(4)18)17(6-2)16-10-7-13(3)8-11-16/h5,7-12,14,17H,6,18H2,1-4H3/b12-9-,15-5+
InChIKeyFGLMCHYDYORGPB-GCRMBOBKSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
CID 142049182
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
CID 96955830
1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
CID 166983011
N,2-bis(4-methylphenyl)butanamide
CID 2750915
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258
amino-(4-methylphenyl)methanol
CID 70304176
N-(4-butan-2-ylphenyl)-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methylaniline
CID 143909827
2-(4-methylphenyl)-1-N-propan-2-ylbut-3-ene-1,3-diamine
CID 89000384

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine?
The IUPAC name of (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine (CID 143608288) is (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine.
What is the SMILES notation for (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine?
The canonical SMILES for (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine is C/C=C(\C=C/C(C)N)C(CC)c1ccc(C)cc1.
What is the InChIKey of (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine?
The InChIKey is FGLMCHYDYORGPB-GCRMBOBKSA-N. The full InChI is InChI=1S/C17H25N/c1-5-15(12-9-14(4)18)17(6-2)16-10-7-13(3)8-11-16/h5,7-12,14,17H,6,18H2,1-4H3/b12-9-,15-5+.
What are the key properties of (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine?
(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine is sourced from PubChem (CID 143608288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).