N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine

C13H22N2 — CID 123851663

IUPACN-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine
SMILESCCNCC1(C)C=CC=CC(C)(C)/N=C\1
InChIInChI=1S/C13H22N2/c1-5-14-10-13(4)9-7-6-8-12(2,3)15-11-13/h6-9,11,14H,5,10H2,1-4H3/b8-6?,9-7?,15-11-
InChIKeyWNZCNNGJDFXUSZ-PTFMKKKJSA-N
MW206.33 g/mol
LogP2.58
Rot. Bonds3

About N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine

N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine (PubChem CID 123851663) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine
PubChem CID123851663
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine
SMILESCCNCC1(C)C=CC=CC(C)(C)/N=C\1
InChIInChI=1S/C13H22N2/c1-5-14-10-13(4)9-7-6-8-12(2,3)15-11-13/h6-9,11,14H,5,10H2,1-4H3/b8-6?,9-7?,15-11-
InChIKeyWNZCNNGJDFXUSZ-PTFMKKKJSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine (CID 123851663) is N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine is CCNCC1(C)C=CC=CC(C)(C)/N=C\1.
What is the InChIKey of N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine?
The InChIKey is WNZCNNGJDFXUSZ-PTFMKKKJSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-14-10-13(4)9-7-6-8-12(2,3)15-11-13/h6-9,11,14H,5,10H2,1-4H3/b8-6?,9-7?,15-11-.
What are the key properties of N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine?
N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine is sourced from PubChem (CID 123851663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).