N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide

C8H16N2O — CID 130942452

IUPACN-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC1CCOC1
InChIInChI=1S/C8H16N2O/c1-7(9)10(2)5-8-3-4-11-6-8/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyZFRSMQKOYIXVLA-VQHVLOKHSA-N
MW156.23 g/mol
LogP0.95
Rot. Bonds2

About N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide

N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide (PubChem CID 130942452) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
PubChem CID130942452
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC1CCOC1
InChIInChI=1S/C8H16N2O/c1-7(9)10(2)5-8-3-4-11-6-8/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyZFRSMQKOYIXVLA-VQHVLOKHSA-N
XLogP0.95
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.95
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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Related Compounds

N-methyl-N-(oxan-3-ylmethyl)ethanimidamide
CID 63707795
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
2,2-difluoro-N-methyl-2-nitro-N-(oxolan-3-ylmethyl)ethanimidamide
CID 139694550
N,N-dimethyl-2-(oxolan-3-yl)ethanimidamide
CID 103988079
N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
CID 63707794
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
CID 63707933
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386507
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide (CID 130942452) is N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide is [H]/N=C(\C)N(C)CC1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide?
The InChIKey is ZFRSMQKOYIXVLA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10(2)5-8-3-4-11-6-8/h8-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide?
N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide is sourced from PubChem (CID 130942452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).