N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine

C22H31N — CID 58121785

IUPACN-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C(\C=C/CC(C)(C)C)N(C1=CC=CCC1)C1C=CC=CC1
InChIInChI=1S/C22H31N/c1-5-19(17-12-18-22(2,3)4)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-10,12-13,15,17,20H,11,14,16,18H2,1-4H3/b17-12-,19-5+
InChIKeyHKTUZLWZUKVTEC-VTJDNGNWSA-N
MW309.50 g/mol
LogP6.30
Rot. Bonds5

About N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine

N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 58121785) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine
PubChem CID58121785
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C(\C=C/CC(C)(C)C)N(C1=CC=CCC1)C1C=CC=CC1
InChIInChI=1S/C22H31N/c1-5-19(17-12-18-22(2,3)4)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-10,12-13,15,17,20H,11,14,16,18H2,1-4H3/b17-12-,19-5+
InChIKeyHKTUZLWZUKVTEC-VTJDNGNWSA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine (CID 58121785) is N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine is C/C=C(\C=C/CC(C)(C)C)N(C1=CC=CCC1)C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HKTUZLWZUKVTEC-VTJDNGNWSA-N. The full InChI is InChI=1S/C22H31N/c1-5-19(17-12-18-22(2,3)4)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-10,12-13,15,17,20H,11,14,16,18H2,1-4H3/b17-12-,19-5+.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine?
N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 309.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-[(2E,4Z)-7,7-dimethylocta-2,4-dien-3-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 58121785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).