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

C16H31F3N2 — CID 79836033

IUPAC3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C16H31F3N2/c1-6-10-20-14-13(8-7-9-15(14,4)5)21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3
InChIKeyWTOGNIXCBSBJGH-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds6

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

3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 79836033) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID79836033
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C16H31F3N2/c1-6-10-20-14-13(8-7-9-15(14,4)5)21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3
InChIKeyWTOGNIXCBSBJGH-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79867191
1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 79836033) is 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CCCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is WTOGNIXCBSBJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-6-10-20-14-13(8-7-9-15(14,4)5)21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79836033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).