(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine

C9H16N2 — CID 118049819

IUPAC(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine
SMILESC/C(N)=C1/CN2CCC1CC2
InChIInChI=1S/C9H16N2/c1-7(10)9-6-11-4-2-8(9)3-5-11/h8H,2-6,10H2,1H3/b9-7+
InChIKeyBBTYCSDAAOBLPO-VQHVLOKHSA-N
MW152.24 g/mol
LogP0.94
Rot. Bonds

About (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine

(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine (PubChem CID 118049819) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine.

Molecular Properties

Compound Name(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine
PubChem CID118049819
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine
SMILESC/C(N)=C1/CN2CCC1CC2
InChIInChI=1S/C9H16N2/c1-7(10)9-6-11-4-2-8(9)3-5-11/h8H,2-6,10H2,1H3/b9-7+
InChIKeyBBTYCSDAAOBLPO-VQHVLOKHSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine?
The IUPAC name of (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine (CID 118049819) is (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine.
What is the SMILES notation for (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine?
The canonical SMILES for (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine is C/C(N)=C1/CN2CCC1CC2.
What is the InChIKey of (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine?
The InChIKey is BBTYCSDAAOBLPO-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(10)9-6-11-4-2-8(9)3-5-11/h8H,2-6,10H2,1H3/b9-7+.
What are the key properties of (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine?
(1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanamine is sourced from PubChem (CID 118049819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).