N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine

C13H26N2O2 — CID 102852208

IUPACN'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H26N2O2/c1-14-8-9-15-7-4-12-2-5-13(6-3-12)16-10-11-17-13/h12,14-15H,2-11H2,1H3
InChIKeyNBBVAYJVUGOLEI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds6

About N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine

N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 102852208) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine
PubChem CID102852208
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H26N2O2/c1-14-8-9-15-7-4-12-2-5-13(6-3-12)16-10-11-17-13/h12,14-15H,2-11H2,1H3
InChIKeyNBBVAYJVUGOLEI-UHFFFAOYSA-N
XLogP1.12
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine (CID 102852208) is N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCC1CCC2(CC1)OCCO2.
What is the InChIKey of N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is NBBVAYJVUGOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-8-9-15-7-4-12-2-5-13(6-3-12)16-10-11-17-13/h12,14-15H,2-11H2,1H3.
What are the key properties of N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 102852208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).