3-[methyl(oxan-4-yl)amino]butanimidamide

C10H21N3O — CID 60914349

IUPAC3-[methyl(oxan-4-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)C1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)12)13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyPFLACHWEQPKZSH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds4

About 3-[methyl(oxan-4-yl)amino]butanimidamide

3-[methyl(oxan-4-yl)amino]butanimidamide (PubChem CID 60914349) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]butanimidamide
PubChem CID60914349
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[methyl(oxan-4-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)C1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)12)13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyPFLACHWEQPKZSH-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
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

3,3,3-Trifluoro-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103370592
3-Morpholin-4-ylpentanimidamide
CID 43367795
3-(4-Methoxypiperidin-1-yl)pentanimidamide
CID 43372991
3-(3-Methylmorpholin-4-yl)pentanimidamide
CID 43542193
1-(Oxan-4-yl)pyrrolidin-2-imine
CID 43610291
N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611242
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611243
2-[Methyl(oxan-4-yl)amino]ethanimidamide
CID 43611260
3-[Methyl(oxan-4-yl)amino]propanimidamide
CID 43611262
4-[Methyl(oxan-4-yl)amino]butanimidamide
CID 43611263

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]butanimidamide?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]butanimidamide (CID 60914349) is 3-[methyl(oxan-4-yl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]butanimidamide?
The InChIKey is PFLACHWEQPKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(7-10(11)12)13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[methyl(oxan-4-yl)amino]butanimidamide?
3-[methyl(oxan-4-yl)amino]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]butanimidamide is sourced from PubChem (CID 60914349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).