N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride

C13H20ClN3 — CID 115606796

IUPACN-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1ccc2cn[nH]c2c1.Cl
InChIInChI=1S/C13H19N3.ClH/c1-3-12(4-2)14-8-10-5-6-11-9-15-16-13(11)7-10;/h5-7,9,12,14H,3-4,8H2,1-2H3,(H,15,16);1H
InChIKeyJNIBEQWPCGEODB-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.26
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride

N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride (PubChem CID 115606796) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
PubChem CID115606796
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1ccc2cn[nH]c2c1.Cl
InChIInChI=1S/C13H19N3.ClH/c1-3-12(4-2)14-8-10-5-6-11-9-15-16-13(11)7-10;/h5-7,9,12,14H,3-4,8H2,1-2H3,(H,15,16);1H
InChIKeyJNIBEQWPCGEODB-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine
CID 115691269
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride?
The IUPAC name of N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride (CID 115606796) is N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride is CCC(CC)NCc1ccc2cn[nH]c2c1.Cl.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride?
The InChIKey is JNIBEQWPCGEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-3-12(4-2)14-8-10-5-6-11-9-15-16-13(11)7-10;/h5-7,9,12,14H,3-4,8H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride?
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 3.26, 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)pentan-3-amine;hydrochloride is sourced from PubChem (CID 115606796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).