2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide

C11H23N3O — CID 76915624

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CC(C)C)C1CC1
InChIInChI=1S/C11H23N3O/c1-4-10(11(12)13-15)14(7-8(2)3)9-5-6-9/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyCRXLIAVJGJZCOK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide

2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide (PubChem CID 76915624) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
PubChem CID76915624
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CC(C)C)C1CC1
InChIInChI=1S/C11H23N3O/c1-4-10(11(12)13-15)14(7-8(2)3)9-5-6-9/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyCRXLIAVJGJZCOK-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 76915568
N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide
CID 76915778
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 76923943
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
CID 76915771
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 76915656
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
CID 102632403
N'-hydroxy-2-[methyl(pentan-3-yl)amino]butanimidamide
CID 76915773
2-(dipropylamino)-N'-hydroxybutanimidamide
CID 76915523
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide (CID 76915624) is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N(CC(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is CRXLIAVJGJZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-10(11(12)13-15)14(7-8(2)3)9-5-6-9/h8-10,15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide?
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).