N,N-dibenzylcyclohexa-1,5-dien-1-amine

C20H21N — CID 142853635

IUPACN,N-dibenzylcyclohexa-1,5-dien-1-amine
SMILESC1=CC(N(Cc2ccccc2)Cc2ccccc2)=CCC1
InChIInChI=1S/C20H21N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-2,4-8,10-15H,3,9,16-17H2
InChIKeyOKANJDDYDKRSJD-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.92
Rot. Bonds5

About N,N-dibenzylcyclohexa-1,5-dien-1-amine

N,N-dibenzylcyclohexa-1,5-dien-1-amine (PubChem CID 142853635) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dibenzylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dibenzylcyclohexa-1,5-dien-1-amine
PubChem CID142853635
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN,N-dibenzylcyclohexa-1,5-dien-1-amine
SMILESC1=CC(N(Cc2ccccc2)Cc2ccccc2)=CCC1
InChIInChI=1S/C20H21N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-2,4-8,10-15H,3,9,16-17H2
InChIKeyOKANJDDYDKRSJD-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
CID 146563747
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
N,N-dibenzylaniline
CID 139071697
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
CID 144947537
N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
CID 163940531
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
(cyclohexa-1,5-dien-1-ylmethyltrisulfanyl)methylbenzene
CID 143979079
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-dibenzylcyclohexa-1,5-dien-1-amine (CID 142853635) is N,N-dibenzylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-dibenzylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-dibenzylcyclohexa-1,5-dien-1-amine is C1=CC(N(Cc2ccccc2)Cc2ccccc2)=CCC1.
What is the InChIKey of N,N-dibenzylcyclohexa-1,5-dien-1-amine?
The InChIKey is OKANJDDYDKRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-2,4-8,10-15H,3,9,16-17H2.
What are the key properties of N,N-dibenzylcyclohexa-1,5-dien-1-amine?
N,N-dibenzylcyclohexa-1,5-dien-1-amine has a molecular weight of 275.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142853635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).