N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide

C11H22N2O — CID 63707794

IUPACN,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(C)CC1CCCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)11(12)13(3)7-10-5-4-6-14-8-10/h9-10,12H,4-8H2,1-3H3/b12-11+
InChIKeyMARUJUKVAVWDOH-VAWYXSNFSA-N
MW198.31 g/mol
LogP1.98
Rot. Bonds3

About N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide

N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide (PubChem CID 63707794) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
PubChem CID63707794
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(C)CC1CCCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)11(12)13(3)7-10-5-4-6-14-8-10/h9-10,12H,4-8H2,1-3H3/b12-11+
InChIKeyMARUJUKVAVWDOH-VAWYXSNFSA-N
XLogP1.98
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.98
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,2-dimethyl-N-(oxolan-2-ylmethyl)propanimidamide
CID 63177241
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
CID 63707933
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
CID 130942452
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The IUPAC name of N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide (CID 63707794) is N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide.
What is the SMILES notation for N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The canonical SMILES for N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide is [H]/N=C(\C(C)C)N(C)CC1CCCOC1.
What is the InChIKey of N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The InChIKey is MARUJUKVAVWDOH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11(12)13(3)7-10-5-4-6-14-8-10/h9-10,12H,4-8H2,1-3H3/b12-11+.
What are the key properties of N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide?
N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(oxan-3-ylmethyl)propanimidamide is sourced from PubChem (CID 63707794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).