2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H27N3O — CID 43752487

IUPAC2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCCCCCNC1CCCc2c1cnn2CCO
InChIInChI=1S/C15H27N3O/c1-2-3-4-5-9-16-14-7-6-8-15-13(14)12-17-18(15)10-11-19/h12,14,16,19H,2-11H2,1H3
InChIKeyPGLOJKATDYLXCX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds8

About 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 43752487) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID43752487
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCCCCCNC1CCCc2c1cnn2CCO
InChIInChI=1S/C15H27N3O/c1-2-3-4-5-9-16-14-7-6-8-15-13(14)12-17-18(15)10-11-19/h12,14,16,19H,2-11H2,1H3
InChIKeyPGLOJKATDYLXCX-UHFFFAOYSA-N
XLogP2.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
2-[4-[(3-ethylimidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 66132580
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384414
1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80560605
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 43752487) is 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CCCCCCNC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is PGLOJKATDYLXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-3-4-5-9-16-14-7-6-8-15-13(14)12-17-18(15)10-11-19/h12,14,16,19H,2-11H2,1H3.
What are the key properties of 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 43752487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).