N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide

C11H20N2O — CID 63707934

IUPACN-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)CC1CCCOC1
InChIInChI=1S/C11H20N2O/c1-13(11(12)10-4-5-10)7-9-3-2-6-14-8-9/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyFSWRVUYBPYMTMW-VAWYXSNFSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide

N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide (PubChem CID 63707934) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide
PubChem CID63707934
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)CC1CCCOC1
InChIInChI=1S/C11H20N2O/c1-13(11(12)10-4-5-10)7-9-3-2-6-14-8-9/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyFSWRVUYBPYMTMW-VAWYXSNFSA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide (CID 63707934) is N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide is [H]/N=C(\C1CC1)N(C)CC1CCCOC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide?
The InChIKey is FSWRVUYBPYMTMW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(11(12)10-4-5-10)7-9-3-2-6-14-8-9/h9-10,12H,2-8H2,1H3/b12-11+.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide?
N-methyl-N-(oxan-3-ylmethyl)cyclopropanecarboximidamide has a molecular weight of 196.29 g/mol, XLogP of 1.73, 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-3-ylmethyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63707934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).