4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine

C25H37N — CID 156825398

IUPAC4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine
SMILESC=Cc1c(C2C=C(C)CCC2)c(=C)c(NC(C)C)c(CCCCC)c1=C
InChIInChI=1S/C25H37N/c1-8-10-11-15-23-19(6)22(9-2)24(20(7)25(23)26-17(3)4)21-14-12-13-18(5)16-21/h9,16-17,21,26H,2,6-8,10-15H2,1,3-5H3
InChIKeyYVPBZUODAZUDLV-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.92
Rot. Bonds8

About 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine

4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine (PubChem CID 156825398) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine
PubChem CID156825398
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine
SMILESC=Cc1c(C2C=C(C)CCC2)c(=C)c(NC(C)C)c(CCCCC)c1=C
InChIInChI=1S/C25H37N/c1-8-10-11-15-23-19(6)22(9-2)24(20(7)25(23)26-17(3)4)21-14-12-13-18(5)16-21/h9,16-17,21,26H,2,6-8,10-15H2,1,3-5H3
InChIKeyYVPBZUODAZUDLV-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine?
The IUPAC name of 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) is 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine.
What is the SMILES notation for 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine?
The canonical SMILES for 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine is C=Cc1c(C2C=C(C)CCC2)c(=C)c(NC(C)C)c(CCCCC)c1=C.
What is the InChIKey of 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine?
The InChIKey is YVPBZUODAZUDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-8-10-11-15-23-19(6)22(9-2)24(20(7)25(23)26-17(3)4)21-14-12-13-18(5)16-21/h9,16-17,21,26H,2,6-8,10-15H2,1,3-5H3.
What are the key properties of 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine?
4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine has a molecular weight of 351.58 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 156825398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).