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

C16H24N2 — CID 82767653

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCC1(CN2CCc3ccccc3C2)CCCC1N
InChIInChI=1S/C16H24N2/c1-16(9-4-7-15(16)17)12-18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyXTYDTZDRMGHYSV-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.56
Rot. Bonds2

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

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine (PubChem CID 82767653) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
PubChem CID82767653
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCC1(CN2CCc3ccccc3C2)CCCC1N
InChIInChI=1S/C16H24N2/c1-16(9-4-7-15(16)17)12-18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyXTYDTZDRMGHYSV-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine (CID 82767653) is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine is CC1(CN2CCc3ccccc3C2)CCCC1N.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine?
The InChIKey is XTYDTZDRMGHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(9-4-7-15(16)17)12-18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82767653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).