2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline

C13H21N — CID 142442838

IUPAC2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline
SMILESCC(C)C1CN(C)CC2=C1C=CCC2
InChIInChI=1S/C13H21N/c1-10(2)13-9-14(3)8-11-6-4-5-7-12(11)13/h5,7,10,13H,4,6,8-9H2,1-3H3
InChIKeySCERHPMVIFSOSE-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.85
Rot. Bonds1

About 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline

2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline (PubChem CID 142442838) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline
PubChem CID142442838
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline
SMILESCC(C)C1CN(C)CC2=C1C=CCC2
InChIInChI=1S/C13H21N/c1-10(2)13-9-14(3)8-11-6-4-5-7-12(11)13/h5,7,10,13H,4,6,8-9H2,1-3H3
InChIKeySCERHPMVIFSOSE-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-methylidene-1-propan-2-yl-2,3-dihydropyridine
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6-propan-2-ylcyclohex-2-en-1-one
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1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
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2,3-dimethyl-6,7-dihydro-3H-isoindol-1-one;propane
CID 177163858
1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 139483013
(1S)-1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 143343680
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
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3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
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1-propan-2-yl-1,2,6,7-tetrahydronaphthalene
CID 101316535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline (CID 142442838) is 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline is CC(C)C1CN(C)CC2=C1C=CCC2.
What is the InChIKey of 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline?
The InChIKey is SCERHPMVIFSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)13-9-14(3)8-11-6-4-5-7-12(11)13/h5,7,10,13H,4,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline?
2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline has a molecular weight of 191.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 142442838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).