1-ethanimidoyl-1-methyl-3-propan-2-ylurea

C7H15N3O — CID 135219730

IUPAC1-ethanimidoyl-1-methyl-3-propan-2-ylurea
SMILES[H]/N=C(\C)N(C)C(=O)NC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)9-7(11)10(4)6(3)8/h5,8H,1-4H3,(H,9,11)/b8-6+
InChIKeyUVMRYTHKTAYHMG-SOFGYWHQSA-N
MW157.22 g/mol
LogP1.03
Rot. Bonds1

About 1-ethanimidoyl-1-methyl-3-propan-2-ylurea

1-ethanimidoyl-1-methyl-3-propan-2-ylurea (PubChem CID 135219730) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-ethanimidoyl-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-ethanimidoyl-1-methyl-3-propan-2-ylurea
PubChem CID135219730
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-ethanimidoyl-1-methyl-3-propan-2-ylurea
SMILES[H]/N=C(\C)N(C)C(=O)NC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)9-7(11)10(4)6(3)8/h5,8H,1-4H3,(H,9,11)/b8-6+
InChIKeyUVMRYTHKTAYHMG-SOFGYWHQSA-N
XLogP1.03
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
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

CID 89164232
CID 89164232
1-[1-(Dimethylamino)ethylidene]-3-propan-2-ylurea
CID 123219297
1-(1-Aminoethylidene)-3-propan-2-ylurea
CID 123322101
1-(C,N-dimethylcarbonimidoyl)-3-propan-2-ylurea
CID 123706100
methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate
CID 135219550
5-methyl-2-propan-2-yl-4H-1,2,4,6-thiatriazin-3-one
CID 136058228
1-Butan-2-yl-3-methanimidoylurea
CID 137469676
1,3-Dimethyl-1-propanimidoylurea
CID 141865620
1-Cyclopropyl-1-ethanimidoyl-3-methylurea
CID 141865625
1-Ethanimidoyl-3-methylurea
CID 152774406
5-Imino-1,4-dimethylimidazolidin-2-one
CID 166799040
1-(Deuteriomethyl)-3-ethanimidoylurea
CID 173646729

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-ethanimidoyl-1-methyl-3-propan-2-ylurea (CID 135219730) is 1-ethanimidoyl-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-ethanimidoyl-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-ethanimidoyl-1-methyl-3-propan-2-ylurea is [H]/N=C(\C)N(C)C(=O)NC(C)C.
What is the InChIKey of 1-ethanimidoyl-1-methyl-3-propan-2-ylurea?
The InChIKey is UVMRYTHKTAYHMG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)9-7(11)10(4)6(3)8/h5,8H,1-4H3,(H,9,11)/b8-6+.
What are the key properties of 1-ethanimidoyl-1-methyl-3-propan-2-ylurea?
1-ethanimidoyl-1-methyl-3-propan-2-ylurea has a molecular weight of 157.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 135219730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).