N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine

C20H31N — CID 174349515

IUPACN-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine
SMILESC=CCCC(C(=C)C)N(C)CCC1C=CC(C)=CC1C=C
InChIInChI=1S/C20H31N/c1-7-9-10-20(16(3)4)21(6)14-13-19-12-11-17(5)15-18(19)8-2/h7-8,11-12,15,18-20H,1-3,9-10,13-14H2,4-6H3
InChIKeyUZZNHPIHFAAPMV-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.15
Rot. Bonds9

About N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine

N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine (PubChem CID 174349515) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine.

Molecular Properties

Compound NameN-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine
PubChem CID174349515
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine
SMILESC=CCCC(C(=C)C)N(C)CCC1C=CC(C)=CC1C=C
InChIInChI=1S/C20H31N/c1-7-9-10-20(16(3)4)21(6)14-13-19-12-11-17(5)15-18(19)8-2/h7-8,11-12,15,18-20H,1-3,9-10,13-14H2,4-6H3
InChIKeyUZZNHPIHFAAPMV-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine?
The IUPAC name of N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine (CID 174349515) is N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine.
What is the SMILES notation for N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine?
The canonical SMILES for N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine is C=CCCC(C(=C)C)N(C)CCC1C=CC(C)=CC1C=C.
What is the InChIKey of N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine?
The InChIKey is UZZNHPIHFAAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-7-9-10-20(16(3)4)21(6)14-13-19-12-11-17(5)15-18(19)8-2/h7-8,11-12,15,18-20H,1-3,9-10,13-14H2,4-6H3.
What are the key properties of N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine?
N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine has a molecular weight of 285.48 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethenyl-4-methylcyclohexa-2,4-dien-1-yl)ethyl]-N,2-dimethylhepta-1,6-dien-3-amine is sourced from PubChem (CID 174349515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).