8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C18H32N4 — CID 158774615

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(C#N)C2.CN1C2CCC1CC(CN)C2
InChIInChI=1S/C9H18N2.C9H14N2/c2*1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3;7-9H,2-5H2,1H3
InChIKeyIQHWMJQXHBDYOC-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.20
Rot. Bonds1

About 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 158774615) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID158774615
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(C#N)C2.CN1C2CCC1CC(CN)C2
InChIInChI=1S/C9H18N2.C9H14N2/c2*1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3;7-9H,2-5H2,1H3
InChIKeyIQHWMJQXHBDYOC-UHFFFAOYSA-N
XLogP2.20
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 158774615) is 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CN1C2CCC1CC(C#N)C2.CN1C2CCC1CC(CN)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is IQHWMJQXHBDYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C9H14N2/c2*1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3;7-9H,2-5H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 304.48 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 158774615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).