N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene

C24H37N — CID 156825393

IUPACN-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene
SMILESC=CC.C=c1cc(C2C=C(C)CCC2)c(=C)c(NC)c1CCCCC
InChIInChI=1S/C21H31N.C3H6/c1-6-7-8-12-19-16(3)14-20(17(4)21(19)22-5)18-11-9-10-15(2)13-18;1-3-2/h13-14,18,22H,3-4,6-12H2,1-2,5H3;3H,1H2,2H3
InChIKeyGBKIREPYAZNYBW-UHFFFAOYSA-N
MW339.57 g/mol
LogP5.69
Rot. Bonds6

About N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene

N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene (PubChem CID 156825393) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene
PubChem CID156825393
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC NameN-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene
SMILESC=CC.C=c1cc(C2C=C(C)CCC2)c(=C)c(NC)c1CCCCC
InChIInChI=1S/C21H31N.C3H6/c1-6-7-8-12-19-16(3)14-20(17(4)21(19)22-5)18-11-9-10-15(2)13-18;1-3-2/h13-14,18,22H,3-4,6-12H2,1-2,5H3;3H,1H2,2H3
InChIKeyGBKIREPYAZNYBW-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 55.69
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'}

Analyze N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene 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

N-[(Z,2E)-2-ethylidenepent-3-enyl]-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene
CID 177210325
CID 164591569
CID 164591569
4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine
CID 156825398
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
5-ethenoxy-6-(3-methylcyclohex-2-en-1-yl)-3-pentylbenzene-1,2,4-triol
CID 164591554
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455
[3-ethenoxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] N-ethylcarbamate
CID 170609114
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
4-ethenoxy-2-hydroxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
CID 155570367
3-ethyl-4-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]azetidin-2-one;prop-1-ene
CID 155749030
2-(aziridin-2-yl)-6-(3-methylcyclohex-2-en-1-yl)-3-pentylphenol
CID 155575319

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene?
The IUPAC name of N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene (CID 156825393) is N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene.
What is the SMILES notation for N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene?
The canonical SMILES for N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene is C=CC.C=c1cc(C2C=C(C)CCC2)c(=C)c(NC)c1CCCCC.
What is the InChIKey of N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene?
The InChIKey is GBKIREPYAZNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N.C3H6/c1-6-7-8-12-19-16(3)14-20(17(4)21(19)22-5)18-11-9-10-15(2)13-18;1-3-2/h13-14,18,22H,3-4,6-12H2,1-2,5H3;3H,1H2,2H3.
What are the key properties of N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene?
N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene has a molecular weight of 339.57 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentylcyclohexa-1,4-dien-1-amine;prop-1-ene is sourced from PubChem (CID 156825393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).