1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O — CID 113462967

IUPAC1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1(CN)CCCC1
InChIInChI=1S/C10H18F3N3O/c1-16(8(17)15-7-10(11,12)13)9(6-14)4-2-3-5-9/h2-7,14H2,1H3,(H,15,17)
InChIKeyQVONMZUHDHPWFC-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113462967) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID113462967
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1(CN)CCCC1
InChIInChI=1S/C10H18F3N3O/c1-16(8(17)15-7-10(11,12)13)9(6-14)4-2-3-5-9/h2-7,14H2,1H3,(H,15,17)
InChIKeyQVONMZUHDHPWFC-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 113462967) is 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(C(=O)NCC(F)(F)F)C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QVONMZUHDHPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16(8(17)15-7-10(11,12)13)9(6-14)4-2-3-5-9/h2-7,14H2,1H3,(H,15,17).
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113462967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).