N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine

C12H17N3 — CID 115684234

IUPACN-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C12H17N3/c1-9(2)6-13-7-10-4-3-5-11-8-14-15-12(10)11/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyDMFAGUCAUKEELF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds4

About N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine

N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine (PubChem CID 115684234) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
PubChem CID115684234
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C12H17N3/c1-9(2)6-13-7-10-4-3-5-11-8-14-15-12(10)11/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyDMFAGUCAUKEELF-UHFFFAOYSA-N
XLogP2.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methylpropyl)-1H-indazole
CID 167194868
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
CID 97002410
N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485017
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
1-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-(1H-indazol-7-ylmethyl)methanamine
CID 99814841

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine (CID 115684234) is N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCc1cccc2cn[nH]c12.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is DMFAGUCAUKEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)6-13-7-10-4-3-5-11-8-14-15-12(10)11/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine?
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115684234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).