N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine

C18H23N — CID 131992968

IUPACN-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C(\CC)C1=CCC(NC2C=CC=CC2)C=C1
InChIInChI=1S/C18H23N/c1-3-8-15(4-2)16-11-13-18(14-12-16)19-17-9-6-5-7-10-17/h3,5-9,11-13,17-19H,1,4,10,14H2,2H3/b15-8+
InChIKeyDHPHBYASWHZIAC-OVCLIPMQSA-N
MW253.39 g/mol
LogP4.24
Rot. Bonds5

About N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine

N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 131992968) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine
PubChem CID131992968
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C(\CC)C1=CCC(NC2C=CC=CC2)C=C1
InChIInChI=1S/C18H23N/c1-3-8-15(4-2)16-11-13-18(14-12-16)19-17-9-6-5-7-10-17/h3,5-9,11-13,17-19H,1,4,10,14H2,2H3/b15-8+
InChIKeyDHPHBYASWHZIAC-OVCLIPMQSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
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-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine (CID 131992968) is N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine is C=C/C=C(\CC)C1=CCC(NC2C=CC=CC2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is DHPHBYASWHZIAC-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H23N/c1-3-8-15(4-2)16-11-13-18(14-12-16)19-17-9-6-5-7-10-17/h3,5-9,11-13,17-19H,1,4,10,14H2,2H3/b15-8+.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine?
N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-4-[(3E)-hexa-3,5-dien-3-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 131992968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).