ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide

C14H30N2O — CID 164926616

IUPACethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide
SMILESC/N=C(\N=C(C)C)C1CCOCC1.CC.CC
InChIInChI=1S/C10H18N2O.2C2H6/c1-8(2)12-10(11-3)9-4-6-13-7-5-9;2*1-2/h9H,4-7H2,1-3H3;2*1-2H3/b11-10-;;
InChIKeyACZXMARGQYLNAO-PQBRBDCOSA-N
MW242.41 g/mol
LogP3.97
Rot. Bonds1

About ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide

ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide (PubChem CID 164926616) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide
PubChem CID164926616
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide
SMILESC/N=C(\N=C(C)C)C1CCOCC1.CC.CC
InChIInChI=1S/C10H18N2O.2C2H6/c1-8(2)12-10(11-3)9-4-6-13-7-5-9;2*1-2/h9H,4-7H2,1-3H3;2*1-2H3/b11-10-;;
InChIKeyACZXMARGQYLNAO-PQBRBDCOSA-N
XLogP3.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.97
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
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
CID 164926703
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 ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide?
The IUPAC name of ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide (CID 164926616) is ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide.
What is the SMILES notation for ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide?
The canonical SMILES for ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide is C/N=C(\N=C(C)C)C1CCOCC1.CC.CC.
What is the InChIKey of ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide?
The InChIKey is ACZXMARGQYLNAO-PQBRBDCOSA-N. The full InChI is InChI=1S/C10H18N2O.2C2H6/c1-8(2)12-10(11-3)9-4-6-13-7-5-9;2*1-2/h9H,4-7H2,1-3H3;2*1-2H3/b11-10-;;.
What are the key properties of ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide?
ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide has a molecular weight of 242.41 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide is sourced from PubChem (CID 164926616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).