N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine

C12H23F3N2 — CID 62257041

IUPACN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCCC1
InChIInChI=1S/C12H23F3N2/c1-3-16-8-11(6-4-5-7-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyXWANRHAOSBRQPN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds6

About N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62257041) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62257041
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCCC1
InChIInChI=1S/C12H23F3N2/c1-3-16-8-11(6-4-5-7-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyXWANRHAOSBRQPN-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropyl)-3-(trifluoromethyl)pyrrolidine
CID 83685670
3-(1,1-Difluoropropyl)-3-ethylpyrrolidine
CID 88977973
N-[3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexyl]-N',N'-dimethylpropane-1,3-diamine
CID 89189108
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839
5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 117944153
N-methyl-1-(1-(trifluoromethyl)cyclopentyl)methanamine
CID 121208298
N-(2,2-difluoroethyl)-4,4-dimethylhexan-1-amine
CID 129033935
4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 129033941
(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230060
6,6-Difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
(5R)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230744
(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
CID 129237633

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62257041) is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCNCC1(CN(C)CC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is XWANRHAOSBRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-16-8-11(6-4-5-7-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62257041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).