N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine

C22H32N2 — CID 141045804

IUPACN-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(CCN(C)C1CCC(C2=CCCC=C2)CC1)c1ccccc1
InChIInChI=1S/C22H32N2/c1-23(21-11-7-4-8-12-21)17-18-24(2)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h4-5,7-12,20,22H,3,6,13-18H2,1-2H3
InChIKeyVOCXSXHOLWPRAF-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.89
Rot. Bonds6

About N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine

N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 141045804) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID141045804
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(CCN(C)C1CCC(C2=CCCC=C2)CC1)c1ccccc1
InChIInChI=1S/C22H32N2/c1-23(21-11-7-4-8-12-21)17-18-24(2)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h4-5,7-12,20,22H,3,6,13-18H2,1-2H3
InChIKeyVOCXSXHOLWPRAF-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine with MolForge

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine
CID 141045832
4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-difluorophenyl)propyl]-N-methylcyclohexan-1-amine
CID 141045810
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
CID 142280064
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584812
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine (CID 141045804) is N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine is CN(CCN(C)C1CCC(C2=CCCC=C2)CC1)c1ccccc1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is VOCXSXHOLWPRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-23(21-11-7-4-8-12-21)17-18-24(2)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h4-5,7-12,20,22H,3,6,13-18H2,1-2H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine?
N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 324.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 141045804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).