2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine

C16H26N2 — CID 103462256

IUPAC2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCC1NCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,15,17-18H,4,9-12H2,1-3H3
InChIKeyWICOXTDRLIKHJQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds5

About 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine

2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine (PubChem CID 103462256) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
PubChem CID103462256
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCC1NCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,15,17-18H,4,9-12H2,1-3H3
InChIKeyWICOXTDRLIKHJQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
CID 103568632
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
CID 112738625
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,3-thiazol-2-amine
CID 114284707
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine (CID 103462256) is 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine is CCC(C)(C)CNCC1NCCc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine?
The InChIKey is WICOXTDRLIKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-15-14-8-6-5-7-13(14)9-10-18-15/h5-8,15,17-18H,4,9-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine?
2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 103462256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).