1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea

C8H15F2N3O — CID 107493730

IUPAC1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea
SMILESNCCN(CC(F)F)C(=O)NC1CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13(4-3-11)8(14)12-6-1-2-6/h6-7H,1-5,11H2,(H,12,14)
InChIKeyNTTNILAZBZRLSS-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.38
Rot. Bonds5

About 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea

1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea (PubChem CID 107493730) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea
PubChem CID107493730
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea
SMILESNCCN(CC(F)F)C(=O)NC1CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13(4-3-11)8(14)12-6-1-2-6/h6-7H,1-5,11H2,(H,12,14)
InChIKeyNTTNILAZBZRLSS-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopropyl-1,1-bis[2-(dimethylamino)ethyl]urea
CID 53621558
1-[2-[Butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
CID 71934037
1-Propan-2-yl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 57846657
N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 58171987
N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 67612386
N-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 67614046
N-ethyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 68403574
(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 89424191
2-(Trifluoromethyl)piperazine-1-carboxamide
CID 90242471
3-(Trifluoromethyl)piperazine-1-carboxamide
CID 90242619
1-(2,2-Difluorocyclopropyl)-3-methylurea
CID 118332583
1-(2,2-Difluorocyclopropyl)-3-propan-2-ylurea
CID 121429580

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea (CID 107493730) is 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea is NCCN(CC(F)F)C(=O)NC1CC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea?
The InChIKey is NTTNILAZBZRLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-7(10)5-13(4-3-11)8(14)12-6-1-2-6/h6-7H,1-5,11H2,(H,12,14).
What are the key properties of 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea?
1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea has a molecular weight of 207.22 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea is sourced from PubChem (CID 107493730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).