4-[methyl(oxan-2-ylmethyl)amino]butanimidamide

C11H23N3O — CID 61431943

IUPAC4-[methyl(oxan-2-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1CCCCO1
InChIInChI=1S/C11H23N3O/c1-14(7-4-6-11(12)13)9-10-5-2-3-8-15-10/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyGZFLITVKTQYBHZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds6

About 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide

4-[methyl(oxan-2-ylmethyl)amino]butanimidamide (PubChem CID 61431943) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(oxan-2-ylmethyl)amino]butanimidamide
PubChem CID61431943
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[methyl(oxan-2-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1CCCCO1
InChIInChI=1S/C11H23N3O/c1-14(7-4-6-11(12)13)9-10-5-2-3-8-15-10/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyGZFLITVKTQYBHZ-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
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 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide?
The IUPAC name of 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide (CID 61431943) is 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CC1CCCCO1.
What is the InChIKey of 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide?
The InChIKey is GZFLITVKTQYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(7-4-6-11(12)13)9-10-5-2-3-8-15-10/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide?
4-[methyl(oxan-2-ylmethyl)amino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-2-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 61431943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).