(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine

C12H24N2O — CID 83916971

IUPAC(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine
SMILESCN1CCCC(CN)C2CCOCCC21
InChIInChI=1S/C12H24N2O/c1-14-6-2-3-10(9-13)11-4-7-15-8-5-12(11)14/h10-12H,2-9,13H2,1H3
InChIKeySZUUMBMAUGXMMD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds1

About (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine

(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine (PubChem CID 83916971) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine
PubChem CID83916971
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine
SMILESCN1CCCC(CN)C2CCOCCC21
InChIInChI=1S/C12H24N2O/c1-14-6-2-3-10(9-13)11-4-7-15-8-5-12(11)14/h10-12H,2-9,13H2,1H3
InChIKeySZUUMBMAUGXMMD-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine?
The IUPAC name of (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine (CID 83916971) is (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine.
What is the SMILES notation for (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine?
The canonical SMILES for (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine is CN1CCCC(CN)C2CCOCCC21.
What is the InChIKey of (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine?
The InChIKey is SZUUMBMAUGXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14-6-2-3-10(9-13)11-4-7-15-8-5-12(11)14/h10-12H,2-9,13H2,1H3.
What are the key properties of (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine?
(2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-10-oxa-2-azabicyclo[5.5.0]dodecan-6-yl)methanamine is sourced from PubChem (CID 83916971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).