(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine

C17H27N — CID 90201281

IUPAC(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine
SMILESC=CC1=C2/C(=C\C)C(C)(C)CCN2CCC1(C)C
InChIInChI=1S/C17H27N/c1-7-13-15-14(8-2)17(5,6)10-12-18(15)11-9-16(13,3)4/h7-8H,1,9-12H2,2-6H3/b14-8+
InChIKeyQNMWIVMOYWKNHK-RIYZIHGNSA-N
MW245.41 g/mol
LogP4.53
Rot. Bonds1

About (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine

(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine (PubChem CID 90201281) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine.

Molecular Properties

Compound Name(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine
PubChem CID90201281
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine
SMILESC=CC1=C2/C(=C\C)C(C)(C)CCN2CCC1(C)C
InChIInChI=1S/C17H27N/c1-7-13-15-14(8-2)17(5,6)10-12-18(15)11-9-16(13,3)4/h7-8H,1,9-12H2,2-6H3/b14-8+
InChIKeyQNMWIVMOYWKNHK-RIYZIHGNSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine?
The IUPAC name of (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine (CID 90201281) is (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine.
What is the SMILES notation for (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine?
The canonical SMILES for (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine is C=CC1=C2/C(=C\C)C(C)(C)CCN2CCC1(C)C.
What is the InChIKey of (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine?
The InChIKey is QNMWIVMOYWKNHK-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H27N/c1-7-13-15-14(8-2)17(5,6)10-12-18(15)11-9-16(13,3)4/h7-8H,1,9-12H2,2-6H3/b14-8+.
What are the key properties of (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine?
(9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine has a molecular weight of 245.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-ethenyl-9-ethylidene-2,2,8,8-tetramethyl-3,4,6,7-tetrahydroquinolizine is sourced from PubChem (CID 90201281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).