[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C20H34N4 — CID 82584814

IUPAC[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CCN(C2CN(C)C(CN)c3cc(C(C)(C)C)ccc32)CC1
InChIInChI=1S/C20H34N4/c1-20(2,3)15-6-7-16-17(12-15)18(13-21)23(5)14-19(16)24-10-8-22(4)9-11-24/h6-7,12,18-19H,8-11,13-14,21H2,1-5H3
InChIKeyNGQFWGYADAVFFP-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.22
Rot. Bonds2

About [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584814) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584814
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CCN(C2CN(C)C(CN)c3cc(C(C)(C)C)ccc32)CC1
InChIInChI=1S/C20H34N4/c1-20(2,3)15-6-7-16-17(12-15)18(13-21)23(5)14-19(16)24-10-8-22(4)9-11-24/h6-7,12,18-19H,8-11,13-14,21H2,1-5H3
InChIKeyNGQFWGYADAVFFP-UHFFFAOYSA-N
XLogP2.22
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine with MolForge

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Related Compounds

[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
1-(aminomethyl)-7-tert-butyl-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 134126463
(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584748
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584864
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82128928
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82544662
1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584746
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980

Frequently Asked Questions

What is the IUPAC name of [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584814) is [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CN1CCN(C2CN(C)C(CN)c3cc(C(C)(C)C)ccc32)CC1.
What is the InChIKey of [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is NGQFWGYADAVFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-20(2,3)15-6-7-16-17(12-15)18(13-21)23(5)14-19(16)24-10-8-22(4)9-11-24/h6-7,12,18-19H,8-11,13-14,21H2,1-5H3.
What are the key properties of [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 330.52 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).