2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

C12H23F3N2 — CID 54948197

IUPAC2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCCC1CCC(N(C)C(CN)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-3-9-4-6-10(7-5-9)17(2)11(8-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyZDNBTYAEOXOMNB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (PubChem CID 54948197) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
PubChem CID54948197
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCCC1CCC(N(C)C(CN)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-3-9-4-6-10(7-5-9)17(2)11(8-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyZDNBTYAEOXOMNB-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cycloheptyl-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753188
3-N-(1-ethylpiperidin-4-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 55004402
2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
CID 43752757
2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727500
2-N-cyclopentyl-2-N,3,3-trimethylbutane-1,2-diamine
CID 61326826
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
ethanamine;ethylcyclopropane
CID 70018487
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 54948148
1-(3-chloro-5-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 114453323

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (CID 54948197) is 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is CCC1CCC(N(C)C(CN)C(F)(F)F)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The InChIKey is ZDNBTYAEOXOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-9-4-6-10(7-5-9)17(2)11(8-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3.
What are the key properties of 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 54948197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).