3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

C23H35N — CID 3104952

IUPAC3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
SMILESC=CCNCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3
InChIKeyJUQPVAWSCLEOCQ-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.29
Rot. Bonds8

About 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (PubChem CID 3104952) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
PubChem CID3104952
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
SMILESC=CCNCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3
InChIKeyJUQPVAWSCLEOCQ-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.29
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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,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
N-Acetylretinylamine
CID 20839428
(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373938
(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
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(cyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373974
(2E,4Z,6E)-5-tert-butyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373982

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The IUPAC name of 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (CID 3104952) is 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine is C=CCNCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C.
What is the InChIKey of 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The InChIKey is JUQPVAWSCLEOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3.
What are the key properties of 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine has a molecular weight of 325.54 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-prop-2-enyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 3104952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).