2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

C15H23N3O — CID 63711689

IUPAC2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H23N3O/c1-18(9-12-5-4-8-19-11-12)10-13-6-2-3-7-14(13)15(16)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H3,16,17)
InChIKeyMLIHOCRSOZCGMW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds5

About 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 63711689) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID63711689
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H23N3O/c1-18(9-12-5-4-8-19-11-12)10-13-6-2-3-7-14(13)15(16)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H3,16,17)
InChIKeyMLIHOCRSOZCGMW-UHFFFAOYSA-N
XLogP1.83
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55249247
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351335
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (CID 63711689) is 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN(C)CC1CCCOC1.
What is the InChIKey of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is MLIHOCRSOZCGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(9-12-5-4-8-19-11-12)10-13-6-2-3-7-14(13)15(16)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H3,16,17).
What are the key properties of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63711689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).