N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide

C10H21N3O — CID 77008845

IUPACN'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
SMILESCC1CC1CN(C)C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-4-9(7)6-13(3)8(2)5-10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyKSHREEFAFSZRRA-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.10
Rot. Bonds5

About N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide

N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide (PubChem CID 77008845) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
PubChem CID77008845
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
SMILESCC1CC1CN(C)C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-4-9(7)6-13(3)8(2)5-10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyKSHREEFAFSZRRA-UHFFFAOYSA-N
XLogP1.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.10
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

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 66417566
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
CID 63878750
1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine
CID 63858782
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104863498
2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
CID 63864640
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide (CID 77008845) is N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide is CC1CC1CN(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The InChIKey is KSHREEFAFSZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7-4-9(7)6-13(3)8(2)5-10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide is sourced from PubChem (CID 77008845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).