(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine

C18H29N — CID 121373938

IUPAC(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
SMILESCC1=C(/C=C/C(=C/C=C/CN)C(C)(C)C)CCCC1
InChIInChI=1S/C18H29N/c1-15-9-5-6-10-16(15)12-13-17(18(2,3)4)11-7-8-14-19/h7-8,11-13H,5-6,9-10,14,19H2,1-4H3/b8-7+,13-12+,17-11-
InChIKeyJVEDXAVACOEHDB-JLUVVWDZSA-N
MW259.44 g/mol
LogP4.92
Rot. Bonds4

About (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine

(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine (PubChem CID 121373938) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
PubChem CID121373938
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
SMILESCC1=C(/C=C/C(=C/C=C/CN)C(C)(C)C)CCCC1
InChIInChI=1S/C18H29N/c1-15-9-5-6-10-16(15)12-13-17(18(2,3)4)11-7-8-14-19/h7-8,11-13H,5-6,9-10,14,19H2,1-4H3/b8-7+,13-12+,17-11-
InChIKeyJVEDXAVACOEHDB-JLUVVWDZSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Retinylamine
CID 444596
(2E,4E,6E)-5-methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 57814841
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 101387724
(2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373940
(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
CID 121373943
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373945
(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaen-1-amine
CID 121373950
(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine
CID 121373966
(2E,4E,6E)-5-methyl-7-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)hepta-2,4,6-trien-1-amine
CID 121374018
(2E,4E,6E)-6-[3-(cyclohexen-1-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373967
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373971
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2-methylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373973

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine (CID 121373938) is (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine is CC1=C(/C=C/C(=C/C=C/CN)C(C)(C)C)CCCC1.
What is the InChIKey of (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine?
The InChIKey is JVEDXAVACOEHDB-JLUVVWDZSA-N. The full InChI is InChI=1S/C18H29N/c1-15-9-5-6-10-16(15)12-13-17(18(2,3)4)11-7-8-14-19/h7-8,11-13H,5-6,9-10,14,19H2,1-4H3/b8-7+,13-12+,17-11-.
What are the key properties of (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine?
(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 121373938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).