N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H15F3N2O2 — CID 103212970

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-3-7(15)14-5-8(4-13)1-2-8/h1-6,13H2,(H,14,15)
InChIKeyHNPXGTMBRCVYHY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.42
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212970) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212970
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-3-7(15)14-5-8(4-13)1-2-8/h1-6,13H2,(H,14,15)
InChIKeyHNPXGTMBRCVYHY-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887799
(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943803
(2R)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943804
2-ethoxy-N-(4,4,4-trifluorobutyl)acetamide
CID 79039210
2-(2-aminoethoxy)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 79473061
2-(2-aminoethoxy)-N-(3,3,3-trifluoropropyl)acetamide
CID 79479547
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
CID 80598407
2-(2-aminoethoxy)-N-(4,4,4-trifluorobutyl)acetamide
CID 81503494
N-(3-amino-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205502
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212596
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212601
N-(4-amino-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212957

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212970) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCC1(CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HNPXGTMBRCVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-3-7(15)14-5-8(4-13)1-2-8/h1-6,13H2,(H,14,15).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).