N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine

C14H22N2O2 — CID 79100157

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(2)16(11)15-13-5-7-14(8-6-13)17-9-10-18-14/h3-4,13,15H,5-10H2,1-2H3
InChIKeyJIEXMPZTKNMZJV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.33
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine (PubChem CID 79100157) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine
PubChem CID79100157
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(2)16(11)15-13-5-7-14(8-6-13)17-9-10-18-14/h3-4,13,15H,5-10H2,1-2H3
InChIKeyJIEXMPZTKNMZJV-UHFFFAOYSA-N
XLogP2.33
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine (CID 79100157) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine?
The InChIKey is JIEXMPZTKNMZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-3-4-12(2)16(11)15-13-5-7-14(8-6-13)17-9-10-18-14/h3-4,13,15H,5-10H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).