2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C16H31F3N2 — CID 63495699

IUPAC2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C16H31F3N2/c1-4-9-21(13-16(17,18)19)12-15(7-5-6-8-15)11-20-10-14(2)3/h14,20H,4-13H2,1-3H3
InChIKeyWMAXEPYZJDSCBF-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.07
Rot. Bonds9

About 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 63495699) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID63495699
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C16H31F3N2/c1-4-9-21(13-16(17,18)19)12-15(7-5-6-8-15)11-20-10-14(2)3/h14,20H,4-13H2,1-3H3
InChIKeyWMAXEPYZJDSCBF-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

3-(2-Methylpropyl)-3-(trifluoromethyl)pyrrolidine
CID 83685670
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839
2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine
CID 155067708
2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine
CID 155067709
2-(aminomethyl)-N'-[2-(aminomethyl)-2-[2-[[2-(aminomethyl)-2-(trifluoromethyl)pentyl]amino]ethyl]-4,4,4-trifluorobutyl]-2-(3,3,3-trifluoropropyl)butane-1,4-diamine
CID 156355931
N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine
CID 166571103
2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 166870840
N-[(3,3-difluorocyclopentyl)methyl]-2-methylpropan-1-amine
CID 169886484
N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-2,2,2-trifluoro-N-methylethanamine
CID 172335028
1-[3-(1,1-difluoroethyl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 176350228
N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 55051351
2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 55051352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 63495699) is 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CCCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is WMAXEPYZJDSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-9-21(13-16(17,18)19)12-15(7-5-6-8-15)11-20-10-14(2)3/h14,20H,4-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 63495699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).