N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine

C13H19N3 — CID 115606919

IUPACN-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)10(3)14-7-11-4-5-12-8-15-16-13(12)6-11/h4-6,8-10,14H,7H2,1-3H3,(H,15,16)
InChIKeySCOFXCFZNIQHOH-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.70
Rot. Bonds4

About N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine

N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine (PubChem CID 115606919) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
PubChem CID115606919
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)10(3)14-7-11-4-5-12-8-15-16-13(12)6-11/h4-6,8-10,14H,7H2,1-3H3,(H,15,16)
InChIKeySCOFXCFZNIQHOH-UHFFFAOYSA-N
XLogP2.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine
CID 115691269
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine
CID 176904216
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine (CID 115606919) is N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine is CC(C)C(C)NCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine?
The InChIKey is SCOFXCFZNIQHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)10(3)14-7-11-4-5-12-8-15-16-13(12)6-11/h4-6,8-10,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine?
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 115606919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).