(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

C11H21F3N2 — CID 134438157

IUPAC(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCCN[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1N(C)C
InChIInChI=1S/C11H21F3N2/c1-4-15-9-6-5-8(11(12,13)14)7-10(9)16(2)3/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyRALPWAJLYOHDBP-OPRDCNLKSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds3

About (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 134438157) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID134438157
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCCN[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1N(C)C
InChIInChI=1S/C11H21F3N2/c1-4-15-9-6-5-8(11(12,13)14)7-10(9)16(2)3/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyRALPWAJLYOHDBP-OPRDCNLKSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

(1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 146524937
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
CID 146472186
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (CID 134438157) is (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is CCN[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1N(C)C.
What is the InChIKey of (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is RALPWAJLYOHDBP-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-15-9-6-5-8(11(12,13)14)7-10(9)16(2)3/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 134438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).