6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine

C14H20N4O — CID 107489292

IUPAC6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
SMILESCN(CC1CCCCO1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H20N4O/c1-18(9-11-4-2-3-5-19-11)14-7-13-10(6-12(14)15)8-16-17-13/h6-8,11H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyHGOKCMQOGXJDDH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds3

About 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine

6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine (PubChem CID 107489292) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
PubChem CID107489292
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
SMILESCN(CC1CCCCO1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H20N4O/c1-18(9-11-4-2-3-5-19-11)14-7-13-10(6-12(14)15)8-16-17-13/h6-8,11H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyHGOKCMQOGXJDDH-UHFFFAOYSA-N
XLogP2.15
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 63592689
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272160
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 50953322

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine (CID 107489292) is 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine is CN(CC1CCCCO1)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine?
The InChIKey is HGOKCMQOGXJDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(9-11-4-2-3-5-19-11)14-7-13-10(6-12(14)15)8-16-17-13/h6-8,11H,2-5,9,15H2,1H3,(H,16,17).
What are the key properties of 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine?
6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).