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

C12H23F3N2 — CID 113433967

IUPACN',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-17(2)8-7-16-9-10-5-3-4-6-11(10)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyFDSCNLWYCNGROD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds5

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

N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (PubChem CID 113433967) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
PubChem CID113433967
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-17(2)8-7-16-9-10-5-3-4-6-11(10)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyFDSCNLWYCNGROD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 114526657
4-[[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]methylamino]methyl]benzoic acid
CID 122034425
(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 119343054
1-N-tert-butyl-2-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propane-1,2-diamine
CID 104622103
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
CID 11138028
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine (CID 113433967) is N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is CN(C)CCNCC1CCCCC1C(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
The InChIKey is FDSCNLWYCNGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-17(2)8-7-16-9-10-5-3-4-6-11(10)12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[2-(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-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 113433967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).