2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline

C15H23N — CID 142196715

IUPAC2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc2c(cc1C)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H23N/c1-11-8-13-6-7-16(15(3,4)5)10-14(13)9-12(11)2/h8-9H,6-7,10H2,1-5H3
InChIKeyYVTAOZGCVRAFAN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.46
Rot. Bonds

About 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline

2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 142196715) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID142196715
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc2c(cc1C)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H23N/c1-11-8-13-6-7-16(15(3,4)5)10-14(13)9-12(11)2/h8-9H,6-7,10H2,1-5H3
InChIKeyYVTAOZGCVRAFAN-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
CID 171767542
(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid
CID 121375550
6-tert-butyl-2-ethyl-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine
CID 175569331
2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
CID 165157964
3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 105477997
2,8-ditert-butyl-3,4-dihydro-1H-isoquinoline;ethane
CID 162223831
tert-butyl 2-(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)acetate
CID 140721674
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline
CID 162153943
5-tert-butyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 164717001
2-(2-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 170022656
1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one
CID 592338
2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
CID 59576841

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline (CID 142196715) is 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1cc2c(cc1C)CN(C(C)(C)C)CC2.
What is the InChIKey of 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YVTAOZGCVRAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-8-13-6-7-16(15(3,4)5)10-14(13)9-12(11)2/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline?
2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142196715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).