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

C10H21N3O — CID 63711522

IUPAC3-[methyl(oxan-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CCCOC1
InChIInChI=1S/C10H21N3O/c1-13(5-4-10(11)12)7-9-3-2-6-14-8-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyDUROXQQYLQLPSF-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds5

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

3-[methyl(oxan-3-ylmethyl)amino]propanimidamide (PubChem CID 63711522) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylmethyl)amino]propanimidamide
PubChem CID63711522
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[methyl(oxan-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CCCOC1
InChIInChI=1S/C10H21N3O/c1-13(5-4-10(11)12)7-9-3-2-6-14-8-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyDUROXQQYLQLPSF-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 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 ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide (CID 63711522) is 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CC1CCCOC1.
What is the InChIKey of 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide?
The InChIKey is DUROXQQYLQLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-13(5-4-10(11)12)7-9-3-2-6-14-8-9/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[methyl(oxan-3-ylmethyl)amino]propanimidamide?
3-[methyl(oxan-3-ylmethyl)amino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 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]propanimidamide is sourced from PubChem (CID 63711522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).