N-methyl-N-(oxan-2-ylmethyl)butanimidamide

C11H22N2O — CID 63176376

IUPACN-methyl-N-(oxan-2-ylmethyl)butanimidamide
SMILES[H]/N=C(\CCC)N(C)CC1CCCCO1
InChIInChI=1S/C11H22N2O/c1-3-6-11(12)13(2)9-10-7-4-5-8-14-10/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyMBEDIOSQASASQO-VAWYXSNFSA-N
MW198.31 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-(oxan-2-ylmethyl)butanimidamide

N-methyl-N-(oxan-2-ylmethyl)butanimidamide (PubChem CID 63176376) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)butanimidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)butanimidamide
PubChem CID63176376
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)butanimidamide
SMILES[H]/N=C(\CCC)N(C)CC1CCCCO1
InChIInChI=1S/C11H22N2O/c1-3-6-11(12)13(2)9-10-7-4-5-8-14-10/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyMBEDIOSQASASQO-VAWYXSNFSA-N
XLogP2.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-N-(oxan-2-ylmethyl)butanimidamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)butanimidamide (CID 63176376) is N-methyl-N-(oxan-2-ylmethyl)butanimidamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)butanimidamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)butanimidamide is [H]/N=C(\CCC)N(C)CC1CCCCO1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)butanimidamide?
The InChIKey is MBEDIOSQASASQO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-6-11(12)13(2)9-10-7-4-5-8-14-10/h10,12H,3-9H2,1-2H3/b12-11+.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)butanimidamide?
N-methyl-N-(oxan-2-ylmethyl)butanimidamide has a molecular weight of 198.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)butanimidamide is sourced from PubChem (CID 63176376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).