2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline

C14H23N — CID 145042992

IUPAC2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C.Cc1cccc2c1CCNC2
InChIInChI=1S/C10H13N.C4H10/c1-8-3-2-4-9-7-11-6-5-10(8)9;1-4(2)3/h2-4,11H,5-7H2,1H3;4H,1-3H3
InChIKeyMLQSHRFXWAZSFW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.30
Rot. Bonds

About 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline

2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 145042992) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID145042992
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C.Cc1cccc2c1CCNC2
InChIInChI=1S/C10H13N.C4H10/c1-8-3-2-4-9-7-11-6-5-10(8)9;1-4(2)3/h2-4,11H,5-7H2,1H3;4H,1-3H3
InChIKeyMLQSHRFXWAZSFW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 114284711
5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 118428911
5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 90762701
N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558486
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 107515016

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline (CID 145042992) is 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline is CC(C)C.Cc1cccc2c1CCNC2.
What is the InChIKey of 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MLQSHRFXWAZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C4H10/c1-8-3-2-4-9-7-11-6-5-10(8)9;1-4(2)3/h2-4,11H,5-7H2,1H3;4H,1-3H3.
What are the key properties of 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline?
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 145042992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).