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

C15H29N3O2 — CID 80593590

IUPACN-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCCCCCCCCCNC(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-3-4-5-6-7-8-9-12-17-14(19)15(10-11-15)13(16)18-20/h20H,2-12H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUDSKLRIMXWOYGM-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.77
Rot. Bonds11

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

N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 80593590) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID80593590
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCCCCCCCCCNC(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-3-4-5-6-7-8-9-12-17-14(19)15(10-11-15)13(16)18-20/h20H,2-12H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUDSKLRIMXWOYGM-UHFFFAOYSA-N
XLogP2.77
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxycarbamimidoyl)-N-(5-methylhexyl)cyclopropane-1-carboxamide
CID 115326796
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopropane-1-carboxamide
CID 114139858
N-[4-(dimethylamino)butyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76929669
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919736
N-(3-ethoxypropyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920265
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
1-(N-chloro-N'-methylcarbamimidoyl)-N-tetradecylcyclopropane-1-carboxamide
CID 123434557
1-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfinylpropyl)cycloheptane-1-carboxamide
CID 104866156
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439

Frequently Asked Questions

What is the IUPAC name of N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 80593590) is N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is CCCCCCCCCCNC(=O)C1(C(N)=NO)CC1.
What is the InChIKey of N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is UDSKLRIMXWOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-3-4-5-6-7-8-9-12-17-14(19)15(10-11-15)13(16)18-20/h20H,2-12H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).