(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21N — CID 92859849

IUPAC(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C[C@@H]1NCCc2ccccc21
InChIInChI=1S/C14H21N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyFUBUVVPXPVESQM-ZDUSSCGKSA-N
MW203.33 g/mol
LogP3.31
Rot. Bonds1

About (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline

(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 92859849) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID92859849
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C[C@@H]1NCCc2ccccc21
InChIInChI=1S/C14H21N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyFUBUVVPXPVESQM-ZDUSSCGKSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
CID 103462256
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
1-[(2,5-dimethylpyrrol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114284715
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
(1S)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 59396651

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 92859849) is (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)C[C@@H]1NCCc2ccccc21.
What is the InChIKey of (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FUBUVVPXPVESQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 92859849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).