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

C11H21F3N2 — CID 146524937

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

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

(1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 146524937) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID146524937
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name(1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCCN[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1N(C)C
InChIInChI=1S/C11H21F3N2/c1-4-15-9-7-8(11(12,13)14)5-6-10(9)16(2)3/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyKRJUHEBYFIRTPG-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)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134438157
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
CID 146472186
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
N-ethyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
CID 79565865
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305
4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 66259260

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (CID 146524937) is (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is CCN[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1N(C)C.
What is the InChIKey of (1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is KRJUHEBYFIRTPG-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-15-9-7-8(11(12,13)14)5-6-10(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)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
(1R,2R,4R)-2-N-ethyl-1-N,1-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)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 146524937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).