2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine

C14H22N2 — CID 11096090

IUPAC2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCC(C)CC1c2cc(N)ccc2CCN1C
InChIInChI=1S/C14H22N2/c1-10(2)8-14-13-9-12(15)5-4-11(13)6-7-16(14)3/h4-5,9-10,14H,6-8,15H2,1-3H3
InChIKeyJISCSCCUANXUPC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.84
Rot. Bonds2

About 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 11096090) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID11096090
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCC(C)CC1c2cc(N)ccc2CCN1C
InChIInChI=1S/C14H22N2/c1-10(2)8-14-13-9-12(15)5-4-11(13)6-7-16(14)3/h4-5,9-10,14H,6-8,15H2,1-3H3
InChIKeyJISCSCCUANXUPC-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 11096090) is 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine is CC(C)CC1c2cc(N)ccc2CCN1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is JISCSCCUANXUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)8-14-13-9-12(15)5-4-11(13)6-7-16(14)3/h4-5,9-10,14H,6-8,15H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 218.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 11096090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).