2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine

C19H30N2 — CID 107429453

IUPAC2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)CC1CCCC(N2CCc3cccc(N)c3C2)C1
InChIInChI=1S/C19H30N2/c1-14(2)11-15-5-3-7-17(12-15)21-10-9-16-6-4-8-19(20)18(16)13-21/h4,6,8,14-15,17H,3,5,7,9-13,20H2,1-2H3
InChIKeyRQMCRBKKMCJFQT-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.23
Rot. Bonds3

About 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 107429453) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID107429453
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)CC1CCCC(N2CCc3cccc(N)c3C2)C1
InChIInChI=1S/C19H30N2/c1-14(2)11-15-5-3-7-17(12-15)21-10-9-16-6-4-8-19(20)18(16)13-21/h4,6,8,14-15,17H,3,5,7,9-13,20H2,1-2H3
InChIKeyRQMCRBKKMCJFQT-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.23
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-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 107429453) is 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine is CC(C)CC1CCCC(N2CCc3cccc(N)c3C2)C1.
What is the InChIKey of 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is RQMCRBKKMCJFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)11-15-5-3-7-17(12-15)21-10-9-16-6-4-8-19(20)18(16)13-21/h4,6,8,14-15,17H,3,5,7,9-13,20H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 286.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 107429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).