N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine

C15H21N3O — CID 63000865

IUPACN-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1nc(CNCC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-15-5-3-2-4-13(15)14(17-18)11-16-10-12-6-8-19-9-7-12/h2-5,12,16H,6-11H2,1H3
InChIKeyWYMNJVUKDLILCY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds4

About N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 63000865) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID63000865
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1nc(CNCC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-15-5-3-2-4-13(15)14(17-18)11-16-10-12-6-8-19-9-7-12/h2-5,12,16H,6-11H2,1H3
InChIKeyWYMNJVUKDLILCY-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64983121
N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
CID 80713493
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 143507194
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 63001057
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 141304489
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
1-methyl-N-[(1-methylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 63378842

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine (CID 63000865) is N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine is Cn1nc(CNCC2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is WYMNJVUKDLILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-15-5-3-2-4-13(15)14(17-18)11-16-10-12-6-8-19-9-7-12/h2-5,12,16H,6-11H2,1H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63000865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).