1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

C13H25N3O2 — CID 80596883

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-11(2,3)8-12(4,5)15-10(17)13(6-7-13)9(14)16-18/h18H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
InChIKeyOGQJHBFMUSAVFL-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80596883) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID80596883
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-11(2,3)8-12(4,5)15-10(17)13(6-7-13)9(14)16-18/h18H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
InChIKeyOGQJHBFMUSAVFL-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
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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Related Compounds

1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
CID 23621833
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 114167667
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80587591
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexan-2-yl)cyclopropane-1-carboxamide
CID 80594716
1-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclohexyl)cyclopropane-1-carboxamide
CID 80597111
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 104864106
1-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylpropyl)cyclopropane-1-carboxamide
CID 104861520
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (CID 80596883) is 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1(C(N)=NO)CC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is OGQJHBFMUSAVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2,3)8-12(4,5)15-10(17)13(6-7-13)9(14)16-18/h18H,6-8H2,1-5H3,(H2,14,16)(H,15,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80596883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).