4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine

C22H29Cl2N — CID 141045832

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine
SMILESCN(CCCc1ccc(Cl)cc1Cl)C1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C22H29Cl2N/c1-25(15-5-8-19-9-12-20(23)16-22(19)24)21-13-10-18(11-14-21)17-6-3-2-4-7-17/h3,6-7,9,12,16,18,21H,2,4-5,8,10-11,13-15H2,1H3
InChIKeyXCVSJOTZEUKUDJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP6.69
Rot. Bonds6

About 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine

4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine (PubChem CID 141045832) has the molecular formula C22H29Cl2N and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine
PubChem CID141045832
Molecular FormulaC22H29Cl2N
Molecular Weight378.39 g/mol
Exact Mass377.17
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine
SMILESCN(CCCc1ccc(Cl)cc1Cl)C1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C22H29Cl2N/c1-25(15-5-8-19-9-12-20(23)16-22(19)24)21-13-10-18(11-14-21)17-6-3-2-4-7-17/h3,6-7,9,12,16,18,21H,2,4-5,8,10-11,13-15H2,1H3
InChIKeyXCVSJOTZEUKUDJ-UHFFFAOYSA-N
XLogP6.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-difluorophenyl)propyl]-N-methylcyclohexan-1-amine
CID 141045810
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
CID 110030987
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
7-(2,4-dichlorophenyl)heptane-1-thiol
CID 10731219
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine (CID 141045832) is 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine is CN(CCCc1ccc(Cl)cc1Cl)C1CCC(C2=CCCC=C2)CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine?
The InChIKey is XCVSJOTZEUKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N/c1-25(15-5-8-19-9-12-20(23)16-22(19)24)21-13-10-18(11-14-21)17-6-3-2-4-7-17/h3,6-7,9,12,16,18,21H,2,4-5,8,10-11,13-15H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine?
4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine has a molecular weight of 378.39 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[3-(2,4-dichlorophenyl)propyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 141045832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).