2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine

C16H29F3N2 — CID 62611350

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C16H29F3N2/c1-3-12-5-8-15(20-4-2)13(9-12)10-21(14-6-7-14)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3
InChIKeyFRLHRZARIPAUTH-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.82
Rot. Bonds7

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine (PubChem CID 62611350) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
PubChem CID62611350
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C16H29F3N2/c1-3-12-5-8-15(20-4-2)13(9-12)10-21(14-6-7-14)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3
InChIKeyFRLHRZARIPAUTH-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 62609086
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64522640
N,4-diethyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 63493739
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
CID 63482884
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609986
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870906

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine (CID 62611350) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine?
The InChIKey is FRLHRZARIPAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-3-12-5-8-15(20-4-2)13(9-12)10-21(14-6-7-14)11-16(17,18)19/h12-15,20H,3-11H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 62611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).