3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine

C16H31F3N2 — CID 64759598

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCC(C(F)(F)F)C1)N(C)C
InChIInChI=1S/C16H31F3N2/c1-5-12(6-2)15(21(3)4)11-20-14-9-7-8-13(10-14)16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyLPUORHMELGBLAM-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds7

About 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine (PubChem CID 64759598) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
PubChem CID64759598
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCC(C(F)(F)F)C1)N(C)C
InChIInChI=1S/C16H31F3N2/c1-5-12(6-2)15(21(3)4)11-20-14-9-7-8-13(10-14)16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyLPUORHMELGBLAM-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 106871598
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
CID 65076947
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64724628
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine (CID 64759598) is 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine is CCC(CC)C(CNC1CCCC(C(F)(F)F)C1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine?
The InChIKey is LPUORHMELGBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-12(6-2)15(21(3)4)11-20-14-9-7-8-13(10-14)16(17,18)19/h12-15,20H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine has a molecular weight of 308.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine is sourced from PubChem (CID 64759598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).