[(Z)-hexan-2-ylideneamino]urea

C7H15N3O — CID 6152474

IUPAC[(Z)-hexan-2-ylideneamino]urea
SMILESCCCC/C(C)=N\NC(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6-
InChIKeyHWOZJMWUVWDNOO-TWGQIWQCSA-N
MW157.22 g/mol
LogP1.22
Rot. Bonds4

About [(Z)-hexan-2-ylideneamino]urea

[(Z)-hexan-2-ylideneamino]urea (PubChem CID 6152474) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is [(Z)-hexan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-hexan-2-ylideneamino]urea
PubChem CID6152474
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name[(Z)-hexan-2-ylideneamino]urea
SMILESCCCC/C(C)=N\NC(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6-
InChIKeyHWOZJMWUVWDNOO-TWGQIWQCSA-N
XLogP1.22
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.22
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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Related Compounds

(nonadec-10-en-2-ylideneamino)urea
CID 71326598
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495
[(E)-decan-4-ylideneamino]urea
CID 121216482
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
[2-(carbamoylhydrazinylidene)propylamino]urea
CID 123320381
(1-aminoethylideneamino)urea
CID 85436939
acetamide;pentanamide
CID 158041283

Frequently Asked Questions

What is the IUPAC name of [(Z)-hexan-2-ylideneamino]urea?
The IUPAC name of [(Z)-hexan-2-ylideneamino]urea (CID 6152474) is [(Z)-hexan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-hexan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-hexan-2-ylideneamino]urea is CCCC/C(C)=N\NC(N)=O.
What is the InChIKey of [(Z)-hexan-2-ylideneamino]urea?
The InChIKey is HWOZJMWUVWDNOO-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6-.
What are the key properties of [(Z)-hexan-2-ylideneamino]urea?
[(Z)-hexan-2-ylideneamino]urea has a molecular weight of 157.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hexan-2-ylideneamino]urea is sourced from PubChem (CID 6152474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).