1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol

C12H21NO — CID 91568160

IUPAC1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)N1C2=CCC1CC2
InChIInChI=1S/C12H21NO/c1-3-9(2)8-12(14)13-10-4-5-11(13)7-6-10/h4,9,11-12,14H,3,5-8H2,1-2H3
InChIKeyZMGBKMFUWXWHAL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol

1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol (PubChem CID 91568160) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol
PubChem CID91568160
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)N1C2=CCC1CC2
InChIInChI=1S/C12H21NO/c1-3-9(2)8-12(14)13-10-4-5-11(13)7-6-10/h4,9,11-12,14H,3,5-8H2,1-2H3
InChIKeyZMGBKMFUWXWHAL-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-[(4S)-4-methylcyclohexen-1-yl]pyrrolidin-2-yl]methanol
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(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane
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(1-methyl-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl)methanol
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2-[(2R,3R)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol
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2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol
CID 175976058
(1-Cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol
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(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol
CID 145166316

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol (CID 91568160) is 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol is CCC(C)CC(O)N1C2=CCC1CC2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol?
The InChIKey is ZMGBKMFUWXWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-9(2)8-12(14)13-10-4-5-11(13)7-6-10/h4,9,11-12,14H,3,5-8H2,1-2H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol?
1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 91568160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).