3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea

C9H18N4O — CID 79163516

IUPAC3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
SMILES[H]/N=C(\N)C(NC(=O)N(C)CC)C1CC1
InChIInChI=1S/C9H18N4O/c1-3-13(2)9(14)12-7(8(10)11)6-4-5-6/h6-7H,3-5H2,1-2H3,(H3,10,11)(H,12,14)
InChIKeyBZFMRRPBBYBOIK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.36
Rot. Bonds4

About 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea

3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea (PubChem CID 79163516) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
PubChem CID79163516
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
SMILES[H]/N=C(\N)C(NC(=O)N(C)CC)C1CC1
InChIInChI=1S/C9H18N4O/c1-3-13(2)9(14)12-7(8(10)11)6-4-5-6/h6-7H,3-5H2,1-2H3,(H3,10,11)(H,12,14)
InChIKeyBZFMRRPBBYBOIK-UHFFFAOYSA-N
XLogP0.36
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Amino-1-cyclopropyl-2-iminoethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116013679
1-(1-Amino-1-iminopropan-2-yl)-3-butylurea
CID 64403897
1-(3-Amino-3-iminopropyl)-3-cyclopropyl-1-(2-methylpropyl)urea
CID 64404309
1-(1-Amino-1-imino-2-methylpropan-2-yl)-3-cyclopropylurea
CID 64405300
1-(3-Amino-3-imino-2-methylpropyl)-3-cyclohexyl-1-methylurea
CID 64405558
1-(1-Amino-1-iminobutan-2-yl)-3-propylurea
CID 64405577
1-(3-Amino-3-imino-2-methylpropyl)-3-cyclopropyl-1-methylurea
CID 64405768
1-(2-Amino-1-cyclohexyl-2-iminoethyl)-3-cyclopropylurea
CID 64405781
1-(1-Amino-1-iminobutan-2-yl)-3-propan-2-ylurea
CID 64405787
1-(1-Amino-1-iminobutan-2-yl)-3-tert-butylurea
CID 64406205
1-(4-Amino-4-iminobutan-2-yl)-3-cyclopropyl-1-methylurea
CID 64406227
1-(1-Amino-1-iminobutan-2-yl)-3-cyclopropylurea
CID 64406414

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea (CID 79163516) is 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea is [H]/N=C(\N)C(NC(=O)N(C)CC)C1CC1.
What is the InChIKey of 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea?
The InChIKey is BZFMRRPBBYBOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-13(2)9(14)12-7(8(10)11)6-4-5-6/h6-7H,3-5H2,1-2H3,(H3,10,11)(H,12,14).
What are the key properties of 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea?
3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea has a molecular weight of 198.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79163516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).