N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine

C19H23N — CID 71051948

IUPACN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C2=CCCC=C2)C2C=CC=CC2)CC1
InChIInChI=1S/C19H23N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-6,8,10-12,14,17H,3,7,9,13,15H2,1H3
InChIKeyGQSRBIZEZIOCAN-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.03
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine

N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine (PubChem CID 71051948) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine
PubChem CID71051948
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C2=CCCC=C2)C2C=CC=CC2)CC1
InChIInChI=1S/C19H23N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-6,8,10-12,14,17H,3,7,9,13,15H2,1H3
InChIKeyGQSRBIZEZIOCAN-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine (CID 71051948) is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine is CC1=CC=C(N(C2=CCCC=C2)C2C=CC=CC2)CC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is GQSRBIZEZIOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-6,8,10-12,14,17H,3,7,9,13,15H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine?
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 265.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71051948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).