1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine

C12H24F2N2 — CID 62009315

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-3-10-4-6-12(9-15,7-5-10)16(2)8-11(13)14/h10-11H,3-9,15H2,1-2H3
InChIKeyUKDAKQXNSCRIII-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.48
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 62009315) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID62009315
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-3-10-4-6-12(9-15,7-5-10)16(2)8-11(13)14/h10-11H,3-9,15H2,1-2H3
InChIKeyUKDAKQXNSCRIII-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 59383015
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
(1R,2R,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429401
(1S,2S,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429419
(1S,2S,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429431
(1R,2R,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429435
(1S,2S,4S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429436
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
(1S,2S,4R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 146526669
1-[2-(4,4-Difluorocyclohexyl)propan-2-yl]piperazine
CID 165128560
2-Methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine
CID 43173288
2-Ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43173293

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine (CID 62009315) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(CN)(N(C)CC(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is UKDAKQXNSCRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-3-10-4-6-12(9-15,7-5-10)16(2)8-11(13)14/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 234.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62009315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).