N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide

C15H21N3O3 — CID 149141130

IUPACN-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide
SMILES[H]/N=C(\NC=O)c1c(NC)cccc1OCC1CCOCC1
InChIInChI=1S/C15H21N3O3/c1-17-12-3-2-4-13(14(12)15(16)18-10-19)21-9-11-5-7-20-8-6-11/h2-4,10-11,17H,5-9H2,1H3,(H2,16,18,19)
InChIKeyRHUAUBUFXGTGEC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide

N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide (PubChem CID 149141130) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide.

Molecular Properties

Compound NameN-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide
PubChem CID149141130
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide
SMILES[H]/N=C(\NC=O)c1c(NC)cccc1OCC1CCOCC1
InChIInChI=1S/C15H21N3O3/c1-17-12-3-2-4-13(14(12)15(16)18-10-19)21-9-11-5-7-20-8-6-11/h2-4,10-11,17H,5-9H2,1H3,(H2,16,18,19)
InChIKeyRHUAUBUFXGTGEC-UHFFFAOYSA-N
XLogP1.61
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
methyl 2-amino-3-(oxan-4-ylmethoxy)benzoate
CID 113333341
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
oxan-4-ylmethyl 5-bromo-3-(methylamino)pyridine-2-carboximidate
CID 142532320
2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 62387152
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521
2-ethylsulfanyl-6-(oxolan-3-ylmethoxy)benzoic acid
CID 113386253
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide?
The IUPAC name of N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide (CID 149141130) is N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide.
What is the SMILES notation for N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide?
The canonical SMILES for N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide is [H]/N=C(\NC=O)c1c(NC)cccc1OCC1CCOCC1.
What is the InChIKey of N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide?
The InChIKey is RHUAUBUFXGTGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-12-3-2-4-13(14(12)15(16)18-10-19)21-9-11-5-7-20-8-6-11/h2-4,10-11,17H,5-9H2,1H3,(H2,16,18,19).
What are the key properties of N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide?
N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide has a molecular weight of 291.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-6-(oxan-4-ylmethoxy)benzenecarboximidoyl]formamide is sourced from PubChem (CID 149141130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).