4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C16H31F3N2 — CID 63494769

IUPAC4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(CCC)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-4-8-20-15-7-6-13(3)10-14(15)11-21(9-5-2)12-16(17,18)19/h13-15,20H,4-12H2,1-3H3
InChIKeyXWOAKNRLSSZXTD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.07
Rot. Bonds8

About 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 63494769) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID63494769
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(CCC)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-4-8-20-15-7-6-13(3)10-14(15)11-21(9-5-2)12-16(17,18)19/h13-15,20H,4-12H2,1-3H3
InChIKeyXWOAKNRLSSZXTD-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 63494769) is 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCCNC1CCC(C)CC1CN(CCC)CC(F)(F)F.
What is the InChIKey of 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is XWOAKNRLSSZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-8-20-15-7-6-13(3)10-14(15)11-21(9-5-2)12-16(17,18)19/h13-15,20H,4-12H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).