(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine

C8H16N2 — CID 124565675

IUPAC(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine
SMILESN[C@@H]1C[C@H]2CCCN(C1)C2
InChIInChI=1S/C8H16N2/c9-8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6,9H2/t7-,8-/m1/s1
InChIKeyNCTCPDDJWQBCMA-HTQZYQBOSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine

(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 124565675) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine
PubChem CID124565675
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine
SMILESN[C@@H]1C[C@H]2CCCN(C1)C2
InChIInChI=1S/C8H16N2/c9-8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6,9H2/t7-,8-/m1/s1
InChIKeyNCTCPDDJWQBCMA-HTQZYQBOSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-azabicyclo[3.2.1]octan-3-amine
CID 154092746
(3R)-1-azabicyclo[3.2.2]nonan-3-amine
CID 93499871
(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
CID 96839852
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
1-azabicyclo[4.3.1]decane-8-carboxylic acid
CID 19848697
1-azabicyclo[4.3.1]decane-8-carbonitrile
CID 19848685
1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
CID 19075558
(1R,3R)-6-methyl-6-azabicyclo[3.2.2]nonan-3-amine
CID 129230742
1-(3-aminopiperidin-1-yl)piperidin-3-amine
CID 174794184
1-[(3R)-3-aminopiperidin-1-yl]piperidin-3-amine
CID 174874713
(5S)-1-azabicyclo[3.3.1]nonan-3-one
CID 93485807
1-azabicyclo[3.2.1]octane-3-carboxamide
CID 45084388

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine (CID 124565675) is (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine is N[C@@H]1C[C@H]2CCCN(C1)C2.
What is the InChIKey of (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NCTCPDDJWQBCMA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2/c9-8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6,9H2/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine?
(3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 124565675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).