N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

C16H29F3N2 — CID 62258532

IUPACN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)N(CC(F)(F)F)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H29F3N2/c1-13(2)21(12-16(17,18)19)11-15(8-4-3-5-9-15)10-20-14-6-7-14/h13-14,20H,3-12H2,1-2H3
InChIKeyGJIQCCQNOAGMFN-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.96
Rot. Bonds7

About N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 62258532) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID62258532
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)N(CC(F)(F)F)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H29F3N2/c1-13(2)21(12-16(17,18)19)11-15(8-4-3-5-9-15)10-20-14-6-7-14/h13-14,20H,3-12H2,1-2H3
InChIKeyGJIQCCQNOAGMFN-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (CID 62258532) is N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is CC(C)N(CC(F)(F)F)CC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is GJIQCCQNOAGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-13(2)21(12-16(17,18)19)11-15(8-4-3-5-9-15)10-20-14-6-7-14/h13-14,20H,3-12H2,1-2H3.
What are the key properties of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 306.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62258532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).