(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine

C9H16N2 — CID 154939012

IUPAC(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C1C[C@@H]2C[C@H](N)C[C@H]1N2C
InChIInChI=1S/C9H16N2/c1-6-3-8-4-7(10)5-9(6)11(8)2/h7-9H,1,3-5,10H2,2H3/t7-,8+,9+/m0/s1
InChIKeyVFVXVWMXTRQNSG-DJLDLDEBSA-N
MW152.24 g/mol
LogP0.74
Rot. Bonds

About (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine

(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 154939012) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID154939012
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C1C[C@@H]2C[C@H](N)C[C@H]1N2C
InChIInChI=1S/C9H16N2/c1-6-3-8-4-7(10)5-9(6)11(8)2/h7-9H,1,3-5,10H2,2H3/t7-,8+,9+/m0/s1
InChIKeyVFVXVWMXTRQNSG-DJLDLDEBSA-N
XLogP0.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 174018947
(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-amine
CID 66874073
8-(trimethylsilylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 164655648
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63960241
(5R)-8-[(1-methylpiperidin-4-yl)methylsulfanyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 177148426
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
3-methyl-4-methylidenecyclopentan-1-amine
CID 142947651
8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 112704244
ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 166167498

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine (CID 154939012) is (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine is C=C1C[C@@H]2C[C@H](N)C[C@H]1N2C.
What is the InChIKey of (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VFVXVWMXTRQNSG-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-3-8-4-7(10)5-9(6)11(8)2/h7-9H,1,3-5,10H2,2H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine?
(1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-8-methyl-6-methylidene-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 154939012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).