N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine

C21H34Cl2N2 — CID 142934394

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1
InChIInChI=1S/C21H34Cl2N2/c1-21(2,3)10-11-25(14-17-6-4-16(13-24)5-7-17)15-18-8-9-19(22)20(23)12-18/h8-9,12,16-17H,4-7,10-11,13-15,24H2,1-3H3
InChIKeyLYXRKKMSZOFOOA-UHFFFAOYSA-N
MW385.42 g/mol
LogP6.00
Rot. Bonds7

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 142934394) has the molecular formula C21H34Cl2N2 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID142934394
Molecular FormulaC21H34Cl2N2
Molecular Weight385.42 g/mol
Exact Mass384.21
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1
InChIInChI=1S/C21H34Cl2N2/c1-21(2,3)10-11-25(14-17-6-4-16(13-24)5-7-17)15-18-8-9-19(22)20(23)12-18/h8-9,12,16-17H,4-7,10-11,13-15,24H2,1-3H3
InChIKeyLYXRKKMSZOFOOA-UHFFFAOYSA-N
XLogP6.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine with MolForge

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Related Compounds

[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 142934260
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine (CID 142934394) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCN(Cc1ccc(Cl)c(Cl)c1)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is LYXRKKMSZOFOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34Cl2N2/c1-21(2,3)10-11-25(14-17-6-4-16(13-24)5-7-17)15-18-8-9-19(22)20(23)12-18/h8-9,12,16-17H,4-7,10-11,13-15,24H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 385.42 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 142934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).