8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H22N2 — CID 61234446

IUPAC8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)=CCN1C2CCC1CC(N)C2
InChIInChI=1S/C12H22N2/c1-9(2)5-6-14-11-3-4-12(14)8-10(13)7-11/h5,10-12H,3-4,6-8,13H2,1-2H3
InChIKeyMHZOZJIDFODRME-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.91
Rot. Bonds2

About 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61234446) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61234446
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)=CCN1C2CCC1CC(N)C2
InChIInChI=1S/C12H22N2/c1-9(2)5-6-14-11-3-4-12(14)8-10(13)7-11/h5,10-12H,3-4,6-8,13H2,1-2H3
InChIKeyMHZOZJIDFODRME-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110540
(1R,5R)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110543
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
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
CID 61233729
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol
CID 114496396
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63960241
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738482
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
CID 67571700
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
8-[(3-methylcyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 107415395

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61234446) is 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)=CCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MHZOZJIDFODRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)5-6-14-11-3-4-12(14)8-10(13)7-11/h5,10-12H,3-4,6-8,13H2,1-2H3.
What are the key properties of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61234446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).