N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine

C12H18N2 — CID 92983298

IUPACN,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
SMILESCN(C)C[C@@H]1NCCc2ccccc21
InChIInChI=1S/C12H18N2/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyYHHFZAFMPUFXPF-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.43
Rot. Bonds2

About N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine

N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine (PubChem CID 92983298) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
PubChem CID92983298
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
SMILESCN(C)C[C@@H]1NCCc2ccccc21
InChIInChI=1S/C12H18N2/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyYHHFZAFMPUFXPF-LBPRGKRZSA-N
XLogP1.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
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
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
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
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine
CID 81464017
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine (CID 92983298) is N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine is CN(C)C[C@@H]1NCCc2ccccc21.
What is the InChIKey of N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine?
The InChIKey is YHHFZAFMPUFXPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine?
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine is sourced from PubChem (CID 92983298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).