N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

C13H17N5O — CID 107683464

IUPACN-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3nnn(C)n3)ccc21
InChIInChI=1S/C13H17N5O/c1-14-12-6-3-9-7-10(4-5-11(9)12)19-8-13-15-17-18(2)16-13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyKZCOGBQXRXXNEM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.00
Rot. Bonds4

About N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683464) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683464
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3nnn(C)n3)ccc21
InChIInChI=1S/C13H17N5O/c1-14-12-6-3-9-7-10(4-5-11(9)12)19-8-13-15-17-18(2)16-13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyKZCOGBQXRXXNEM-UHFFFAOYSA-N
XLogP1.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683366
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683362
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107041423
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683464) is N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCc3nnn(C)n3)ccc21.
What is the InChIKey of N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KZCOGBQXRXXNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-12-6-3-9-7-10(4-5-11(9)12)19-8-13-15-17-18(2)16-13/h4-5,7,12,14H,3,6,8H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).