3-[methyl(oxan-3-ylmethyl)amino]butanimidamide

C11H23N3O — CID 63712398

IUPAC3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CCCOC1
InChIInChI=1S/C11H23N3O/c1-9(6-11(12)13)14(2)7-10-4-3-5-15-8-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyFUZVRYXXEKWMRW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.06
Rot. Bonds5

About 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide

3-[methyl(oxan-3-ylmethyl)amino]butanimidamide (PubChem CID 63712398) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
PubChem CID63712398
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CCCOC1
InChIInChI=1S/C11H23N3O/c1-9(6-11(12)13)14(2)7-10-4-3-5-15-8-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyFUZVRYXXEKWMRW-UHFFFAOYSA-N
XLogP1.06
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.06
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'}

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
CID 63707794
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
N-methyl-N-(oxan-3-ylmethyl)ethanimidamide
CID 63707795
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide?
The IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide (CID 63712398) is 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CC1CCCOC1.
What is the InChIKey of 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide?
The InChIKey is FUZVRYXXEKWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(6-11(12)13)14(2)7-10-4-3-5-15-8-10/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide?
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-3-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 63712398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).