1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea

C13H24N4O2 — CID 54997739

IUPAC1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea
SMILESN/C(CCN(C(=O)NC1CCCCC1)C1CC1)=N/O
InChIInChI=1S/C13H24N4O2/c14-12(16-19)8-9-17(11-6-7-11)13(18)15-10-4-2-1-3-5-10/h10-11,19H,1-9H2,(H2,14,16)(H,15,18)
InChIKeySPEQIULKOMJVTN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.63
Rot. Bonds5

About 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea

1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea (PubChem CID 54997739) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea
PubChem CID54997739
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea
SMILESN/C(CCN(C(=O)NC1CCCCC1)C1CC1)=N/O
InChIInChI=1S/C13H24N4O2/c14-12(16-19)8-9-17(11-6-7-11)13(18)15-10-4-2-1-3-5-10/h10-11,19H,1-9H2,(H2,14,16)(H,15,18)
InChIKeySPEQIULKOMJVTN-UHFFFAOYSA-N
XLogP1.63
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea?
The IUPAC name of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea (CID 54997739) is 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea.
What is the SMILES notation for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea?
The canonical SMILES for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea is N/C(CCN(C(=O)NC1CCCCC1)C1CC1)=N/O.
What is the InChIKey of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea?
The InChIKey is SPEQIULKOMJVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-12(16-19)8-9-17(11-6-7-11)13(18)15-10-4-2-1-3-5-10/h10-11,19H,1-9H2,(H2,14,16)(H,15,18).
What are the key properties of 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea?
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea has a molecular weight of 268.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-cyclohexyl-1-cyclopropylurea is sourced from PubChem (CID 54997739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).