N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine

C16H21N3O — CID 65295489

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
SMILESCCOC1CC(Nc2ccc3[nH]ncc3c2)C12CCC2
InChIInChI=1S/C16H21N3O/c1-2-20-15-9-14(16(15)6-3-7-16)18-12-4-5-13-11(8-12)10-17-19-13/h4-5,8,10,14-15,18H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyKUNQYHPDRPDRKC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine (PubChem CID 65295489) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
PubChem CID65295489
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
SMILESCCOC1CC(Nc2ccc3[nH]ncc3c2)C12CCC2
InChIInChI=1S/C16H21N3O/c1-2-20-15-9-14(16(15)6-3-7-16)18-12-4-5-13-11(8-12)10-17-19-13/h4-5,8,10,14-15,18H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyKUNQYHPDRPDRKC-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine
CID 65295054
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
(1R,3S)-3-ethoxy-N-(4-nitrophenyl)spiro[3.4]octan-1-amine
CID 97044550
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine (CID 65295489) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine is CCOC1CC(Nc2ccc3[nH]ncc3c2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine?
The InChIKey is KUNQYHPDRPDRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15-9-14(16(15)6-3-7-16)18-12-4-5-13-11(8-12)10-17-19-13/h4-5,8,10,14-15,18H,2-3,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine is sourced from PubChem (CID 65295489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).