N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C12H19N3O2 — CID 80597089

IUPACN-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H19N3O2/c13-10(15-17)12(5-6-12)11(16)14-9(7-1-2-7)8-3-4-8/h7-9,17H,1-6H2,(H2,13,15)(H,14,16)
InChIKeyUEMOHHUAHGIELK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 80597089) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID80597089
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H19N3O2/c13-10(15-17)12(5-6-12)11(16)14-9(7-1-2-7)8-3-4-8/h7-9,17H,1-6H2,(H2,13,15)(H,14,16)
InChIKeyUEMOHHUAHGIELK-UHFFFAOYSA-N
XLogP0.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
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

N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexan-2-yl)cyclopropane-1-carboxamide
CID 80594716
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 77014658
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
1-(N'-hydroxycarbamimidoyl)-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107297758
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 80597791

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 80597089) is N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is NC(=NO)C1(C(=O)NC(C2CC2)C2CC2)CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is UEMOHHUAHGIELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10(15-17)12(5-6-12)11(16)14-9(7-1-2-7)8-3-4-8/h7-9,17H,1-6H2,(H2,13,15)(H,14,16).
What are the key properties of N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).