N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C17H30N2O — CID 80716268

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NC1CC2CCC1O2
InChIInChI=1S/C17H30N2O/c1-11(2)19-9-12-4-3-5-13(10-19)17(12)18-15-8-14-6-7-16(15)20-14/h11-18H,3-10H2,1-2H3
InChIKeyXDAQDWKBBJKXOG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.40
Rot. Bonds3

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 80716268) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID80716268
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NC1CC2CCC1O2
InChIInChI=1S/C17H30N2O/c1-11(2)19-9-12-4-3-5-13(10-19)17(12)18-15-8-14-6-7-16(15)20-14/h11-18H,3-10H2,1-2H3
InChIKeyXDAQDWKBBJKXOG-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64740285
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80714777
trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
CID 102733763
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81394236
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64600843
1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 115728295
2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 80716268) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is XDAQDWKBBJKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11(2)19-9-12-4-3-5-13(10-19)17(12)18-15-8-14-6-7-16(15)20-14/h11-18H,3-10H2,1-2H3.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 278.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 80716268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).