N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

C15H24N2 — CID 103142185

IUPACN-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)CCN(C)c1cccc2c1CNCC2
InChIInChI=1S/C15H24N2/c1-12(2)8-10-17(3)15-6-4-5-13-7-9-16-11-14(13)15/h4-6,12,16H,7-11H2,1-3H3
InChIKeyXGUCZVUROWSBJS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 103142185) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID103142185
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)CCN(C)c1cccc2c1CNCC2
InChIInChI=1S/C15H24N2/c1-12(2)8-10-17(3)15-6-4-5-13-7-9-16-11-14(13)15/h4-6,12,16H,7-11H2,1-3H3
InChIKeyXGUCZVUROWSBJS-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142527
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142297
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582888
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethane-1,2-diamine
CID 104557446
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 103142185) is N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is CC(C)CCN(C)c1cccc2c1CNCC2.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is XGUCZVUROWSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)8-10-17(3)15-6-4-5-13-7-9-16-11-14(13)15/h4-6,12,16H,7-11H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 232.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 103142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).