[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone

C22H30N2O — CID 162068712

IUPAC[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCNC1C(C2CCCC(C)C2)=CC=CC1(NC)C(=O)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-16-9-7-12-18(15-16)19-13-8-14-22(24-3,20(19)23-2)21(25)17-10-5-4-6-11-17/h4-6,8,10-11,13-14,16,18,20,23-24H,7,9,12,15H2,1-3H3
InChIKeyZAUHCAHRWNITLX-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.74
Rot. Bonds5

About [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone

[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone (PubChem CID 162068712) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
PubChem CID162068712
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCNC1C(C2CCCC(C)C2)=CC=CC1(NC)C(=O)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-16-9-7-12-18(15-16)19-13-8-14-22(24-3,20(19)23-2)21(25)17-10-5-4-6-11-17/h4-6,8,10-11,13-14,16,18,20,23-24H,7,9,12,15H2,1-3H3
InChIKeyZAUHCAHRWNITLX-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
4-(3-methylcyclohexyl)benzamide
CID 54069897
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
benzoic acid;methylcyclopentane
CID 68907828
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62927064
2-(3-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 62756246
(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 150290031
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304

Frequently Asked Questions

What is the IUPAC name of [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The IUPAC name of [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone (CID 162068712) is [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone.
What is the SMILES notation for [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The canonical SMILES for [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone is CNC1C(C2CCCC(C)C2)=CC=CC1(NC)C(=O)c1ccccc1.
What is the InChIKey of [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The InChIKey is ZAUHCAHRWNITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16-9-7-12-18(15-16)19-13-8-14-22(24-3,20(19)23-2)21(25)17-10-5-4-6-11-17/h4-6,8,10-11,13-14,16,18,20,23-24H,7,9,12,15H2,1-3H3.
What are the key properties of [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
[1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone has a molecular weight of 338.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-bis(methylamino)-5-(3-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone is sourced from PubChem (CID 162068712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).