N-butan-2-ylidene-N'-methyloxane-4-carboximidamide

C11H20N2O — CID 164926704

IUPACN-butan-2-ylidene-N'-methyloxane-4-carboximidamide
SMILESCC/C(C)=N/C(=N\C)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10/h10H,4-8H2,1-3H3/b12-11-,13-9+
InChIKeyQPGLOCQORALLFU-MOCJCDOWSA-N
MW196.29 g/mol
LogP2.31
Rot. Bonds2

About N-butan-2-ylidene-N'-methyloxane-4-carboximidamide

N-butan-2-ylidene-N'-methyloxane-4-carboximidamide (PubChem CID 164926704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-butan-2-ylidene-N'-methyloxane-4-carboximidamide.

Molecular Properties

Compound NameN-butan-2-ylidene-N'-methyloxane-4-carboximidamide
PubChem CID164926704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-butan-2-ylidene-N'-methyloxane-4-carboximidamide
SMILESCC/C(C)=N/C(=N\C)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10/h10H,4-8H2,1-3H3/b12-11-,13-9+
InChIKeyQPGLOCQORALLFU-MOCJCDOWSA-N
XLogP2.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
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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Related Compounds

N'-methyloxane-4-carboximidamide
CID 65334519
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
N'-ethyl-N-methylideneoxane-4-carboximidamide
CID 123212176
N-(oxan-4-ylmethyl)butan-2-imine
CID 123399638
N'-methyl-N-methylideneoxane-4-carboximidamide
CID 123776201
ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide
CID 164926616
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
CID 164926703
N'-(oxan-4-ylmethyl)ethanimidamide
CID 63362724
N'-(oxan-4-ylmethyl)propanimidamide
CID 63707801
2-methyl-N'-(oxan-4-ylmethyl)propanimidamide
CID 63707802
N'-(oxan-4-ylmethyl)butanimidamide
CID 63707941
2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide
CID 63707943

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide?
The IUPAC name of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide (CID 164926704) is N-butan-2-ylidene-N'-methyloxane-4-carboximidamide.
What is the SMILES notation for N-butan-2-ylidene-N'-methyloxane-4-carboximidamide?
The canonical SMILES for N-butan-2-ylidene-N'-methyloxane-4-carboximidamide is CC/C(C)=N/C(=N\C)C1CCOCC1.
What is the InChIKey of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide?
The InChIKey is QPGLOCQORALLFU-MOCJCDOWSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10/h10H,4-8H2,1-3H3/b12-11-,13-9+.
What are the key properties of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide?
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide has a molecular weight of 196.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylidene-N'-methyloxane-4-carboximidamide is sourced from PubChem (CID 164926704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).