2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene

C16H27N — CID 143297681

IUPAC2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
SMILESC=CC.CCC.CN1CCc2ccccc2C1
InChIInChI=1S/C10H13N.C3H8.C3H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*1-3-2/h2-5H,6-8H2,1H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyVGDGGLYSWVPQFV-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.28
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene

2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene (PubChem CID 143297681) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
PubChem CID143297681
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
SMILESC=CC.CCC.CN1CCc2ccccc2C1
InChIInChI=1S/C10H13N.C3H8.C3H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*1-3-2/h2-5H,6-8H2,1H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyVGDGGLYSWVPQFV-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
benzene;buta-1,3-diene;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;prop-1-ene
CID 155698278
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene (CID 143297681) is 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene is C=CC.CCC.CN1CCc2ccccc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene?
The InChIKey is VGDGGLYSWVPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C3H8.C3H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*1-3-2/h2-5H,6-8H2,1H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene?
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene has a molecular weight of 233.40 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene is sourced from PubChem (CID 143297681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).