N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine

C10H15N3O — CID 115260679

IUPACN-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCN(CNN)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H15N3O/c1-13(7-12-11)9-2-3-10-8(6-9)4-5-14-10/h2-3,6,12H,4-5,7,11H2,1H3
InChIKeyXAUIQGCAFRAWGG-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.48
Rot. Bonds3

About N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine

N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 115260679) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
PubChem CID115260679
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCN(CNN)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H15N3O/c1-13(7-12-11)9-2-3-10-8(6-9)4-5-14-10/h2-3,6,12H,4-5,7,11H2,1H3
InChIKeyXAUIQGCAFRAWGG-UHFFFAOYSA-N
XLogP0.48
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252439
3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
CID 115147640
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine (CID 115260679) is N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine is CN(CNN)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is XAUIQGCAFRAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(7-12-11)9-2-3-10-8(6-9)4-5-14-10/h2-3,6,12H,4-5,7,11H2,1H3.
What are the key properties of N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine?
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 193.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 115260679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).