4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol

C15H23N3O — CID 103701006

IUPAC4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H23N3O/c1-11(2)13(8-9-19)16-10-14-12-6-4-5-7-15(12)18(3)17-14/h4-7,11,13,16,19H,8-10H2,1-3H3
InChIKeyVGFILQSDVIJQBG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds6

About 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol

4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol (PubChem CID 103701006) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
PubChem CID103701006
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H23N3O/c1-11(2)13(8-9-19)16-10-14-12-6-4-5-7-15(12)18(3)17-14/h4-7,11,13,16,19H,8-10H2,1-3H3
InChIKeyVGFILQSDVIJQBG-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-[(1-methylindazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 63001915
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol (CID 103701006) is 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol is CC(C)C(CCO)NCc1nn(C)c2ccccc12.
What is the InChIKey of 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is VGFILQSDVIJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)13(8-9-19)16-10-14-12-6-4-5-7-15(12)18(3)17-14/h4-7,11,13,16,19H,8-10H2,1-3H3.
What are the key properties of 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol?
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103701006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).