3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine

C16H25N3 — CID 167805989

IUPAC3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine
SMILESCc1[nH]nc2c1CC(NC1CCC3(CCC3)C1)CC2
InChIInChI=1S/C16H25N3/c1-11-14-9-12(3-4-15(14)19-18-11)17-13-5-8-16(10-13)6-2-7-16/h12-13,17H,2-10H2,1H3,(H,18,19)
InChIKeyFZBRKDWAEGKXJW-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.89
Rot. Bonds2

About 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine

3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine (PubChem CID 167805989) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine
PubChem CID167805989
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine
SMILESCc1[nH]nc2c1CC(NC1CCC3(CCC3)C1)CC2
InChIInChI=1S/C16H25N3/c1-11-14-9-12(3-4-15(14)19-18-11)17-13-5-8-16(10-13)6-2-7-16/h12-13,17H,2-10H2,1H3,(H,18,19)
InChIKeyFZBRKDWAEGKXJW-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine?
The IUPAC name of 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine (CID 167805989) is 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine.
What is the SMILES notation for 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine?
The canonical SMILES for 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine is Cc1[nH]nc2c1CC(NC1CCC3(CCC3)C1)CC2.
What is the InChIKey of 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine?
The InChIKey is FZBRKDWAEGKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-14-9-12(3-4-15(14)19-18-11)17-13-5-8-16(10-13)6-2-7-16/h12-13,17H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine?
3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-spiro[3.4]octan-7-yl-4,5,6,7-tetrahydro-2H-indazol-5-amine is sourced from PubChem (CID 167805989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).