2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine

C15H20N4 — CID 163894875

IUPAC2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine
SMILESNC1CCC2(CC1)CC2Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H20N4/c16-11-3-5-15(6-4-11)8-14(15)18-12-1-2-13-10(7-12)9-17-19-13/h1-2,7,9,11,14,18H,3-6,8,16H2,(H,17,19)
InChIKeyQESUQWBPVWCUJW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds2

About 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine

2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine (PubChem CID 163894875) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine
PubChem CID163894875
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine
SMILESNC1CCC2(CC1)CC2Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H20N4/c16-11-3-5-15(6-4-11)8-14(15)18-12-1-2-13-10(7-12)9-17-19-13/h1-2,7,9,11,14,18H,3-6,8,16H2,(H,17,19)
InChIKeyQESUQWBPVWCUJW-UHFFFAOYSA-N
XLogP2.63
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
CID 43690947
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-(2-ethylcyclopentyl)-1H-indazol-5-amine
CID 115921658
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
CID 65295489
N-(2-azabicyclo[2.2.1]heptan-4-yl)-1H-indazol-5-amine
CID 67234298
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
CID 67234945
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine?
The IUPAC name of 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine (CID 163894875) is 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine is NC1CCC2(CC1)CC2Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine?
The InChIKey is QESUQWBPVWCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-11-3-5-15(6-4-11)8-14(15)18-12-1-2-13-10(7-12)9-17-19-13/h1-2,7,9,11,14,18H,3-6,8,16H2,(H,17,19).
What are the key properties of 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine?
2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine is sourced from PubChem (CID 163894875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).