3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine

C16H23N3O — CID 22933688

IUPAC3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCCC(Oc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H23N3O/c1-11(2)18-13-4-3-5-14(9-13)20-15-6-7-16-12(8-15)10-17-19-16/h6-8,10-11,13-14,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyKBLFTXQEOGJDSI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds4

About 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine

3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 22933688) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine
PubChem CID22933688
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCCC(Oc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H23N3O/c1-11(2)18-13-4-3-5-14(9-13)20-15-6-7-16-12(8-15)10-17-19-16/h6-8,10-11,13-14,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyKBLFTXQEOGJDSI-UHFFFAOYSA-N
XLogP3.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine (CID 22933688) is 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCCC(Oc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is KBLFTXQEOGJDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)18-13-4-3-5-14(9-13)20-15-6-7-16-12(8-15)10-17-19-16/h6-8,10-11,13-14,18H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine?
3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 22933688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).