1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine

C11H18N2 — CID 166694624

IUPAC1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine
SMILESCC/C1=N/CC=C(CNC)/C=C\C1
InChIInChI=1S/C11H18N2/c1-3-11-6-4-5-10(9-12-2)7-8-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3/b5-4-,10-7?,13-11-
InChIKeyMUXGIUYUQVSBLK-RTZVFLIQSA-N
MW178.28 g/mol
LogP1.94
Rot. Bonds3

About 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine

1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine (PubChem CID 166694624) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine
PubChem CID166694624
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine
SMILESCC/C1=N/CC=C(CNC)/C=C\C1
InChIInChI=1S/C11H18N2/c1-3-11-6-4-5-10(9-12-2)7-8-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3/b5-4-,10-7?,13-11-
InChIKeyMUXGIUYUQVSBLK-RTZVFLIQSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine (CID 166694624) is 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine is CC/C1=N/CC=C(CNC)/C=C\C1.
What is the InChIKey of 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine?
The InChIKey is MUXGIUYUQVSBLK-RTZVFLIQSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-11-6-4-5-10(9-12-2)7-8-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3/b5-4-,10-7?,13-11-.
What are the key properties of 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine?
1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 166694624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).