N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine

C12H23F3N2 — CID 113408998

IUPACN,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-16-7-8-17(2)9-10-3-5-11(6-4-10)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyCIYOCOPWPILNPU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds5

About N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (PubChem CID 113408998) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
PubChem CID113408998
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-16-7-8-17(2)9-10-3-5-11(6-4-10)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyCIYOCOPWPILNPU-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 139711377
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561624
N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102898474
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (CID 113408998) is N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is CNCCN(C)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The InChIKey is CIYOCOPWPILNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-16-7-8-17(2)9-10-3-5-11(6-4-10)12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 113408998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).