1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine

C13H26F2N2 — CID 62009320

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CC(F)F)CC1
InChIInChI=1S/C13H26F2N2/c1-3-11-5-7-13(10-16,8-6-11)17(4-2)9-12(14)15/h11-12H,3-10,16H2,1-2H3
InChIKeyCBWWHZYMRSOPJE-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.87
Rot. Bonds6

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine (PubChem CID 62009320) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine
PubChem CID62009320
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CC(F)F)CC1
InChIInChI=1S/C13H26F2N2/c1-3-11-5-7-13(10-16,8-6-11)17(4-2)9-12(14)15/h11-12H,3-10,16H2,1-2H3
InChIKeyCBWWHZYMRSOPJE-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.87
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)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine (CID 62009320) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine is CCC1CCC(CN)(N(CC)CC(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine?
The InChIKey is CBWWHZYMRSOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-3-11-5-7-13(10-16,8-6-11)17(4-2)9-12(14)15/h11-12H,3-10,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine has a molecular weight of 248.36 g/mol, XLogP of 2.87, 6 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)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 62009320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).