1-azabicyclo[3.3.1]nonan-4-amine;methane

C9H20N2 — CID 87724410

IUPAC1-azabicyclo[3.3.1]nonan-4-amine;methane
SMILESC.NC1CCN2CCCC1C2
InChIInChI=1S/C8H16N2.CH4/c9-8-3-5-10-4-1-2-7(8)6-10;/h7-8H,1-6,9H2;1H4
InChIKeyRXACTOQXUGSVDI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds

About 1-azabicyclo[3.3.1]nonan-4-amine;methane

1-azabicyclo[3.3.1]nonan-4-amine;methane (PubChem CID 87724410) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-azabicyclo[3.3.1]nonan-4-amine;methane.

Molecular Properties

Compound Name1-azabicyclo[3.3.1]nonan-4-amine;methane
PubChem CID87724410
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-azabicyclo[3.3.1]nonan-4-amine;methane
SMILESC.NC1CCN2CCCC1C2
InChIInChI=1S/C8H16N2.CH4/c9-8-3-5-10-4-1-2-7(8)6-10;/h7-8H,1-6,9H2;1H4
InChIKeyRXACTOQXUGSVDI-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-azabicyclo[3.3.1]nonan-4-amine
CID 14502093
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
CID 83817171
(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
CID 45087323
1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579
carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium
CID 161086942
N-(1-azabicyclo[3.3.1]nonan-4-yl)propanamide
CID 130934342
10-azatricyclo[8.2.1.03,7]tridecane
CID 54001237
1-azabicyclo[3.2.1]octan-4-ylhydrazine
CID 105365386
1-azatricyclo[4.3.1.03,7]decan-8-amine
CID 67867374
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158724020
(3R)-1-azabicyclo[3.2.2]nonan-3-amine
CID 93499871

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.3.1]nonan-4-amine;methane?
The IUPAC name of 1-azabicyclo[3.3.1]nonan-4-amine;methane (CID 87724410) is 1-azabicyclo[3.3.1]nonan-4-amine;methane.
What is the SMILES notation for 1-azabicyclo[3.3.1]nonan-4-amine;methane?
The canonical SMILES for 1-azabicyclo[3.3.1]nonan-4-amine;methane is C.NC1CCN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.3.1]nonan-4-amine;methane?
The InChIKey is RXACTOQXUGSVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.CH4/c9-8-3-5-10-4-1-2-7(8)6-10;/h7-8H,1-6,9H2;1H4.
What are the key properties of 1-azabicyclo[3.3.1]nonan-4-amine;methane?
1-azabicyclo[3.3.1]nonan-4-amine;methane has a molecular weight of 156.27 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.3.1]nonan-4-amine;methane is sourced from PubChem (CID 87724410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).