7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine

C12H19N — CID 134228472

IUPAC7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine
SMILESCC(C)C1=CN2CCCCC2C=C1
InChIInChI=1S/C12H19N/c1-10(2)11-6-7-12-5-3-4-8-13(12)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyMVPWTXDWESGCTA-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.95
Rot. Bonds1

About 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine

7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine (PubChem CID 134228472) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine.

Molecular Properties

Compound Name7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine
PubChem CID134228472
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine
SMILESCC(C)C1=CN2CCCCC2C=C1
InChIInChI=1S/C12H19N/c1-10(2)11-6-7-12-5-3-4-8-13(12)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyMVPWTXDWESGCTA-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine?
The IUPAC name of 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine (CID 134228472) is 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine.
What is the SMILES notation for 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine?
The canonical SMILES for 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine is CC(C)C1=CN2CCCCC2C=C1.
What is the InChIKey of 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine?
The InChIKey is MVPWTXDWESGCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)11-6-7-12-5-3-4-8-13(12)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine?
7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine has a molecular weight of 177.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,3,4,9a-tetrahydro-1H-quinolizine is sourced from PubChem (CID 134228472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).