ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine

C9H20N2O — CID 168978362

IUPACethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine
SMILESCC.NN1CC2CCCC(C1)O2
InChIInChI=1S/C7H14N2O.C2H6/c8-9-4-6-2-1-3-7(5-9)10-6;1-2/h6-7H,1-5,8H2;1-2H3
InChIKeyZLAAMKOSJKXYPR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.14
Rot. Bonds

About ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine

ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 168978362) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Nameethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine
PubChem CID168978362
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine
SMILESCC.NN1CC2CCCC(C1)O2
InChIInChI=1S/C7H14N2O.C2H6/c8-9-4-6-2-1-3-7(5-9)10-6;1-2/h6-7H,1-5,8H2;1-2H3
InChIKeyZLAAMKOSJKXYPR-UHFFFAOYSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexan-1-amine
CID 79467716
2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane
CID 70331184
10-oxabicyclo[5.2.1]decane
CID 118210101
3-methyl-9-oxabicyclo[3.3.1]nonane-3-thiol
CID 166672021
6,8-dioxabicyclo[3.2.1]octane;ethane
CID 156638289
8-methyl-3-azabicyclo[3.2.1]octan-3-amine
CID 135226676
3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370740
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419081
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutan-1-amine
CID 80561522
4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
CID 68577038

Frequently Asked Questions

What is the IUPAC name of ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine (CID 168978362) is ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine is CC.NN1CC2CCCC(C1)O2.
What is the InChIKey of ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZLAAMKOSJKXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c8-9-4-6-2-1-3-7(5-9)10-6;1-2/h6-7H,1-5,8H2;1-2H3.
What are the key properties of ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine?
ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 172.27 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 168978362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).