N-methyl-N-(oxan-2-ylmethyl)propanimidamide

C10H20N2O — CID 63176375

IUPACN-methyl-N-(oxan-2-ylmethyl)propanimidamide
SMILES[H]/N=C(\CC)N(C)CC1CCCCO1
InChIInChI=1S/C10H20N2O/c1-3-10(11)12(2)8-9-6-4-5-7-13-9/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyFNZMFNUKDGCFQN-ZHACJKMWSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-N-(oxan-2-ylmethyl)propanimidamide

N-methyl-N-(oxan-2-ylmethyl)propanimidamide (PubChem CID 63176375) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)propanimidamide
PubChem CID63176375
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)propanimidamide
SMILES[H]/N=C(\CC)N(C)CC1CCCCO1
InChIInChI=1S/C10H20N2O/c1-3-10(11)12(2)8-9-6-4-5-7-13-9/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyFNZMFNUKDGCFQN-ZHACJKMWSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
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

1-(2,6-Dimethylmorpholin-4-yl)propan-1-imine
CID 62047937
N'-hydroxy-3-[methyl(oxan-2-ylmethyl)amino]propanimidamide
CID 43591910
3-[Methyl(oxan-2-ylmethyl)amino]propanimidamide
CID 43591916
N'-hydroxy-5-[methyl(oxan-2-ylmethyl)amino]pentanimidamide
CID 54965703
5-(3-Propoxypiperidin-1-yl)pentanimidamide
CID 54985353
N'-hydroxy-4-[methyl(oxan-2-ylmethyl)amino]butanimidamide
CID 61431839
2-[Methyl(oxan-2-ylmethyl)amino]ethanimidamide
CID 61431941
4-[Methyl(oxan-2-ylmethyl)amino]butanimidamide
CID 61431943
2-Methyl-3-[methyl(oxan-2-ylmethyl)amino]propanimidamide
CID 61432087
3-[Methyl(oxan-2-ylmethyl)amino]pentanimidamide
CID 61432088
3-[Methyl(oxan-2-ylmethyl)amino]butanimidamide
CID 61432136
1-Methyl-1-(oxan-2-ylmethyl)guanidine
CID 61432484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)propanimidamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)propanimidamide (CID 63176375) is N-methyl-N-(oxan-2-ylmethyl)propanimidamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)propanimidamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)propanimidamide is [H]/N=C(\CC)N(C)CC1CCCCO1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)propanimidamide?
The InChIKey is FNZMFNUKDGCFQN-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-10(11)12(2)8-9-6-4-5-7-13-9/h9,11H,3-8H2,1-2H3/b11-10+.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)propanimidamide?
N-methyl-N-(oxan-2-ylmethyl)propanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)propanimidamide is sourced from PubChem (CID 63176375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).