N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H25F3N2 — CID 62556126

IUPACN'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCC(C)C1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-18(10-13(14,15)16)8-7-17-12-6-4-5-11(2)9-12/h11-12,17H,3-10H2,1-2H3
InChIKeyYZFPAKJELZCZET-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

About N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62556126) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62556126
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCC(C)C1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-18(10-13(14,15)16)8-7-17-12-6-4-5-11(2)9-12/h11-12,17H,3-10H2,1-2H3
InChIKeyYZFPAKJELZCZET-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 82944024
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
CID 63726355
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62556126) is N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNC1CCCC(C)C1)CC(F)(F)F.
What is the InChIKey of N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YZFPAKJELZCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-18(10-13(14,15)16)8-7-17-12-6-4-5-11(2)9-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).