6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine

C18H28N2 — CID 79853349

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCc3ccccc3C2)C1N
InChIInChI=1S/C18H28N2/c1-18(2)10-5-8-16(17(18)19)13-20-11-9-14-6-3-4-7-15(14)12-20/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3
InChIKeyGIUPXOOUHASUCO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.20
Rot. Bonds2

About 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine

6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79853349) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79853349
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCc3ccccc3C2)C1N
InChIInChI=1S/C18H28N2/c1-18(2)10-5-8-16(17(18)19)13-20-11-9-14-6-3-4-7-15(14)12-20/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3
InChIKeyGIUPXOOUHASUCO-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79853349) is 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(CN2CCc3ccccc3C2)C1N.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is GIUPXOOUHASUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)10-5-8-16(17(18)19)13-20-11-9-14-6-3-4-7-15(14)12-20/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79853349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).