1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine

C10H20N2O2 — CID 130941505

IUPAC1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1C2COCC1COC2
InChIInChI=1S/C10H20N2O2/c1-10(2,11)7-12-8-3-13-5-9(12)6-14-4-8/h8-9H,3-7,11H2,1-2H3
InChIKeyYMGNGQJPIMISPN-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.18
Rot. Bonds2

About 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine

1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine (PubChem CID 130941505) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine
PubChem CID130941505
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1C2COCC1COC2
InChIInChI=1S/C10H20N2O2/c1-10(2,11)7-12-8-3-13-5-9(12)6-14-4-8/h8-9H,3-7,11H2,1-2H3
InChIKeyYMGNGQJPIMISPN-UHFFFAOYSA-N
XLogP-0.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine (CID 130941505) is 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine is CC(C)(N)CN1C2COCC1COC2.
What is the InChIKey of 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine?
The InChIKey is YMGNGQJPIMISPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,11)7-12-8-3-13-5-9(12)6-14-4-8/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine?
1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine has a molecular weight of 200.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 130941505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).