1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine

C12H23N — CID 167252807

IUPAC1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)C[C@H]1CCC2CCC2C1
InChIInChI=1S/C12H23N/c1-12(2,13)8-9-3-4-10-5-6-11(10)7-9/h9-11H,3-8,13H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyIILPSNYXNUMNOV-WHXUTIOJSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds2

About 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine

1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine (PubChem CID 167252807) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine
PubChem CID167252807
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)C[C@H]1CCC2CCC2C1
InChIInChI=1S/C12H23N/c1-12(2,13)8-9-3-4-10-5-6-11(10)7-9/h9-11H,3-8,13H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyIILPSNYXNUMNOV-WHXUTIOJSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
CID 19985530
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropane-1,2-diol
CID 175483621
1,3-bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2-methylpropan-2-amine
CID 171629280
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
3-propylbicyclo[4.2.0]octane
CID 145186098
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
(3-ethylcyclopentyl)cyclohexane
CID 142208206
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
(3-cyclohexylcyclopentyl)methanamine
CID 83636273

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine (CID 167252807) is 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine is CC(C)(N)C[C@H]1CCC2CCC2C1.
What is the InChIKey of 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine?
The InChIKey is IILPSNYXNUMNOV-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,13)8-9-3-4-10-5-6-11(10)7-9/h9-11H,3-8,13H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine?
1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-bicyclo[4.2.0]octanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 167252807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).