(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine

C11H21NO2 — CID 106664582

IUPAC(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
SMILESCC1CC(C)(C)CC12OCC(CN)O2
InChIInChI=1S/C11H21NO2/c1-8-4-10(2,3)7-11(8)13-6-9(5-12)14-11/h8-9H,4-7,12H2,1-3H3
InChIKeyHZLOYGJSKIFAOB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.51
Rot. Bonds1

About (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine

(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine (PubChem CID 106664582) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine.

Molecular Properties

Compound Name(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
PubChem CID106664582
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
SMILESCC1CC(C)(C)CC12OCC(CN)O2
InChIInChI=1S/C11H21NO2/c1-8-4-10(2,3)7-11(8)13-6-9(5-12)14-11/h8-9H,4-7,12H2,1-3H3
InChIKeyHZLOYGJSKIFAOB-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine?
The IUPAC name of (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine (CID 106664582) is (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine.
What is the SMILES notation for (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine?
The canonical SMILES for (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine is CC1CC(C)(C)CC12OCC(CN)O2.
What is the InChIKey of (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine?
The InChIKey is HZLOYGJSKIFAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-4-10(2,3)7-11(8)13-6-9(5-12)14-11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine?
(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine is sourced from PubChem (CID 106664582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).