N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C13H25N3O2 — CID 77014685

IUPACN-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC(CC)CC1CC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-3-5-11(12(14)16-18)13(17)15-10(4-2)8-9-6-7-9/h9-11,18H,3-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeySPKZDYBPFDODIS-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 77014685) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID77014685
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC(CC)CC1CC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-3-5-11(12(14)16-18)13(17)15-10(4-2)8-9-6-7-9/h9-11,18H,3-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeySPKZDYBPFDODIS-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

2-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 76924918
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 77014658
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594457
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
2-(N'-hydroxycarbamimidoyl)-N-(1-methylsulfinylpropan-2-yl)pentanamide
CID 104865915
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 76924102

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 77014685) is N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NC(CC)CC1CC1)C(N)=NO.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is SPKZDYBPFDODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-11(12(14)16-18)13(17)15-10(4-2)8-9-6-7-9/h9-11,18H,3-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 255.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 77014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).