N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide

C10H21N3O2 — CID 104866634

IUPACN'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
SMILESCC(CNC1(C)CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(9(11)13-14)7-12-10(2)3-5-15-6-4-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyYDDAPFHKBLFIFZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.53
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide (PubChem CID 104866634) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
PubChem CID104866634
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
SMILESCC(CNC1(C)CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(9(11)13-14)7-12-10(2)3-5-15-6-4-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13)
InChIKeyYDDAPFHKBLFIFZ-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide
CID 104865243
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
CID 124616999
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
CID 106299263
N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
CID 114987791
N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
CID 77030216
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872
3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide (CID 104866634) is N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide is CC(CNC1(C)CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The InChIKey is YDDAPFHKBLFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(9(11)13-14)7-12-10(2)3-5-15-6-4-10/h8,12,14H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide is sourced from PubChem (CID 104866634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).