(4-methylpentan-2-ylideneamino)urea

C7H15N3O — CID 4285664

IUPAC(4-methylpentan-2-ylideneamino)urea
SMILESCC(CC(C)C)=NNC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)4-6(3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11)
InChIKeyHOXAJWHRILSLKM-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.08
Rot. Bonds3

About (4-methylpentan-2-ylideneamino)urea

(4-methylpentan-2-ylideneamino)urea (PubChem CID 4285664) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (4-methylpentan-2-ylideneamino)urea.

Molecular Properties

Compound Name(4-methylpentan-2-ylideneamino)urea
PubChem CID4285664
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(4-methylpentan-2-ylideneamino)urea
SMILESCC(CC(C)C)=NNC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)4-6(3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11)
InChIKeyHOXAJWHRILSLKM-UHFFFAOYSA-N
XLogP1.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpentan-2-ylideneamino)urea?
The IUPAC name of (4-methylpentan-2-ylideneamino)urea (CID 4285664) is (4-methylpentan-2-ylideneamino)urea.
What is the SMILES notation for (4-methylpentan-2-ylideneamino)urea?
The canonical SMILES for (4-methylpentan-2-ylideneamino)urea is CC(CC(C)C)=NNC(N)=O.
What is the InChIKey of (4-methylpentan-2-ylideneamino)urea?
The InChIKey is HOXAJWHRILSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)4-6(3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11).
What are the key properties of (4-methylpentan-2-ylideneamino)urea?
(4-methylpentan-2-ylideneamino)urea has a molecular weight of 157.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpentan-2-ylideneamino)urea is sourced from PubChem (CID 4285664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).