N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C16H25N3O2 — CID 43727362

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H25N3O2/c1-19-15-4-2-3-14(13(15)11-17-19)18-12-5-7-16(8-6-12)20-9-10-21-16/h11-12,14,18H,2-10H2,1H3
InChIKeySFTNPSJQVRHMMU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43727362) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43727362
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H25N3O2/c1-19-15-4-2-3-14(13(15)11-17-19)18-12-5-7-16(8-6-12)20-9-10-21-16/h11-12,14,18H,2-10H2,1H3
InChIKeySFTNPSJQVRHMMU-UHFFFAOYSA-N
XLogP2.07
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43727362) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SFTNPSJQVRHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-15-4-2-3-14(13(15)11-17-19)18-12-5-7-16(8-6-12)20-9-10-21-16/h11-12,14,18H,2-10H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 291.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43727362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).