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

C13H26N2O — CID 164926703

IUPACN-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
SMILESCC.CC/C(C)=N/C(=N\C)C1CCOCC1
InChIInChI=1S/C11H20N2O.C2H6/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10;1-2/h10H,4-8H2,1-3H3;1-2H3/b12-11-,13-9+;
InChIKeyKHZXZDMGMFUYNC-PZSMTCCFSA-N
MW226.36 g/mol
LogP3.34
Rot. Bonds2

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

N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane (PubChem CID 164926703) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane.

Molecular Properties

Compound NameN-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
PubChem CID164926703
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
SMILESCC.CC/C(C)=N/C(=N\C)C1CCOCC1
InChIInChI=1S/C11H20N2O.C2H6/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10;1-2/h10H,4-8H2,1-3H3;1-2H3/b12-11-,13-9+;
InChIKeyKHZXZDMGMFUYNC-PZSMTCCFSA-N
XLogP3.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.34
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
CID 164926704
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;ethane?
The IUPAC name of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane (CID 164926703) is N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane.
What is the SMILES notation for N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane?
The canonical SMILES for N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane is CC.CC/C(C)=N/C(=N\C)C1CCOCC1.
What is the InChIKey of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane?
The InChIKey is KHZXZDMGMFUYNC-PZSMTCCFSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c1-4-9(2)13-11(12-3)10-5-7-14-8-6-10;1-2/h10H,4-8H2,1-3H3;1-2H3/b12-11-,13-9+;.
What are the key properties of N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane?
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane has a molecular weight of 226.36 g/mol, XLogP of 3.34, 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;ethane is sourced from PubChem (CID 164926703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).