4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide

C10H21N3O — CID 43569199

IUPAC4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C1CC1)N(C)CCC/C(N)=N/O
InChIInChI=1S/C10H21N3O/c1-8(9-5-6-9)13(2)7-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMKOVFQLECKIADS-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds6

About 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide

4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 43569199) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID43569199
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C1CC1)N(C)CCC/C(N)=N/O
InChIInChI=1S/C10H21N3O/c1-8(9-5-6-9)13(2)7-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMKOVFQLECKIADS-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.24
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

4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide (CID 43569199) is 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide is CC(C1CC1)N(C)CCC/C(N)=N/O.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is MKOVFQLECKIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(9-5-6-9)13(2)7-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide?
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 43569199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).