(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

C17H27N3 — CID 82584838

IUPAC(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCC1C(N2CCCCC2)c2ccccc2C(CN)N1C
InChIInChI=1S/C17H27N3/c1-13-17(20-10-6-3-7-11-20)15-9-5-4-8-14(15)16(12-18)19(13)2/h4-5,8-9,13,16-17H,3,6-7,10-12,18H2,1-2H3
InChIKeyQUVKSXPWRULCDC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.55
Rot. Bonds2

About (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (PubChem CID 82584838) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
PubChem CID82584838
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCC1C(N2CCCCC2)c2ccccc2C(CN)N1C
InChIInChI=1S/C17H27N3/c1-13-17(20-10-6-3-7-11-20)15-9-5-4-8-14(15)16(12-18)19(13)2/h4-5,8-9,13,16-17H,3,6-7,10-12,18H2,1-2H3
InChIKeyQUVKSXPWRULCDC-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584074
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082
[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584078
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
CID 79972102
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
methyl 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 113369056
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The IUPAC name of (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (CID 82584838) is (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.
What is the SMILES notation for (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The canonical SMILES for (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is CC1C(N2CCCCC2)c2ccccc2C(CN)N1C.
What is the InChIKey of (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The InChIKey is QUVKSXPWRULCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-17(20-10-6-3-7-11-20)15-9-5-4-8-14(15)16(12-18)19(13)2/h4-5,8-9,13,16-17H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is sourced from PubChem (CID 82584838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).