(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine

C15H24N2 — CID 145017805

IUPAC(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine
SMILESCC/C=C\C1=C(N(C)C)\N=C\CCC\C=C1/C
InChIInChI=1S/C15H24N2/c1-5-6-11-14-13(2)10-8-7-9-12-16-15(14)17(3)4/h6,10-12H,5,7-9H2,1-4H3/b11-6-,13-10+,15-14+,16-12+
InChIKeyARQRIYJHYXFZSZ-ZSNHYVBKSA-N
MW232.37 g/mol
LogP3.93
Rot. Bonds3

About (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine

(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine (PubChem CID 145017805) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine.

Molecular Properties

Compound Name(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine
PubChem CID145017805
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine
SMILESCC/C=C\C1=C(N(C)C)\N=C\CCC\C=C1/C
InChIInChI=1S/C15H24N2/c1-5-6-11-14-13(2)10-8-7-9-12-16-15(14)17(3)4/h6,10-12H,5,7-9H2,1-4H3/b11-6-,13-10+,15-14+,16-12+
InChIKeyARQRIYJHYXFZSZ-ZSNHYVBKSA-N
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine?
The IUPAC name of (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine (CID 145017805) is (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine.
What is the SMILES notation for (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine?
The canonical SMILES for (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine is CC/C=C\C1=C(N(C)C)\N=C\CCC\C=C1/C.
What is the InChIKey of (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine?
The InChIKey is ARQRIYJHYXFZSZ-ZSNHYVBKSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-6-11-14-13(2)10-8-7-9-12-16-15(14)17(3)4/h6,10-12H,5,7-9H2,1-4H3/b11-6-,13-10+,15-14+,16-12+.
What are the key properties of (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine?
(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine has a molecular weight of 232.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine is sourced from PubChem (CID 145017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).