N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine

C18H23N — CID 163857292

IUPACN-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine
SMILESC1=CCCC(N(C2=CCCC=C2)C2=CCCCC2)=C1
InChIInChI=1S/C18H23N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4,6,10,12-14H,2-3,5,7-9,11,15H2
InChIKeyOZJXISSPNYRKMX-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.21
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine

N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 163857292) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID163857292
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine
SMILESC1=CCCC(N(C2=CCCC=C2)C2=CCCCC2)=C1
InChIInChI=1S/C18H23N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4,6,10,12-14H,2-3,5,7-9,11,15H2
InChIKeyOZJXISSPNYRKMX-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-prop-1-enyl]aniline
CID 139364225
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
(1E,3Z)-N,N-dimethylcycloocta-1,3-dien-1-amine
CID 129236531
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline
CID 146266468
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 131994960
2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 142961443
(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
CID 173104583
N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 12637576
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
CID 90760439
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine (CID 163857292) is N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine is C1=CCCC(N(C2=CCCC=C2)C2=CCCCC2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is OZJXISSPNYRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4,6,10,12-14H,2-3,5,7-9,11,15H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine?
N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 253.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163857292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).