N-(1H-indazol-6-ylmethyl)butan-1-amine

C12H17N3 — CID 62919560

IUPACN-(1H-indazol-6-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3/c1-2-3-6-13-8-10-4-5-11-9-14-15-12(11)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyMOEGIGMTUQIBRB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.45
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)butan-1-amine

N-(1H-indazol-6-ylmethyl)butan-1-amine (PubChem CID 62919560) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)butan-1-amine
PubChem CID62919560
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(1H-indazol-6-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3/c1-2-3-6-13-8-10-4-5-11-9-14-15-12(11)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyMOEGIGMTUQIBRB-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
CID 112688761
4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)butan-1-amine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)butan-1-amine (CID 62919560) is N-(1H-indazol-6-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)butan-1-amine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)butan-1-amine is CCCCNCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)butan-1-amine?
The InChIKey is MOEGIGMTUQIBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-3-6-13-8-10-4-5-11-9-14-15-12(11)7-10/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,14,15).
What are the key properties of N-(1H-indazol-6-ylmethyl)butan-1-amine?
N-(1H-indazol-6-ylmethyl)butan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.45, 5 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)butan-1-amine is sourced from PubChem (CID 62919560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).