N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine

C11H22N2O2 — CID 71402411

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H22N2O2/c12-6-7-13-8-10-9-14-11(15-10)4-2-1-3-5-11/h10,13H,1-9,12H2
InChIKeyMZARSXQNGCMWSU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 71402411) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine
PubChem CID71402411
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H22N2O2/c12-6-7-13-8-10-9-14-11(15-10)4-2-1-3-5-11/h10,13H,1-9,12H2
InChIKeyMZARSXQNGCMWSU-UHFFFAOYSA-N
XLogP0.61
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
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'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine (CID 71402411) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine is NCCNCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is MZARSXQNGCMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-6-7-13-8-10-9-14-11(15-10)4-2-1-3-5-11/h10,13H,1-9,12H2.
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 71402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).