2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

C15H29F3N2 — CID 79828448

IUPAC2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-6-19-13-12(8-7-9-14(13,4)5)20(11(2)3)10-15(16,17)18/h11-13,19H,6-10H2,1-5H3
InChIKeyLBRSHZZKFJPXKW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.82
Rot. Bonds5

About 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 79828448) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID79828448
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-6-19-13-12(8-7-9-14(13,4)5)20(11(2)3)10-15(16,17)18/h11-13,19H,6-10H2,1-5H3
InChIKeyLBRSHZZKFJPXKW-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 79828448) is 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C.
What is the InChIKey of 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is LBRSHZZKFJPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-6-19-13-12(8-7-9-14(13,4)5)20(11(2)3)10-15(16,17)18/h11-13,19H,6-10H2,1-5H3.
What are the key properties of 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).