3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine

C17H26N2 — CID 114547544

IUPAC3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC2Cc3ccccc3CN2)C1
InChIInChI=1S/C17H26N2/c1-17(2)8-7-15(10-17)19-12-16-9-13-5-3-4-6-14(13)11-18-16/h3-6,15-16,18-19H,7-12H2,1-2H3
InChIKeyFSNPQCZEIZSFLC-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.87
Rot. Bonds3

About 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine

3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine (PubChem CID 114547544) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine
PubChem CID114547544
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC2Cc3ccccc3CN2)C1
InChIInChI=1S/C17H26N2/c1-17(2)8-7-15(10-17)19-12-16-9-13-5-3-4-6-14(13)11-18-16/h3-6,15-16,18-19H,7-12H2,1-2H3
InChIKeyFSNPQCZEIZSFLC-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine (CID 114547544) is 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine is CC1(C)CCC(NCC2Cc3ccccc3CN2)C1.
What is the InChIKey of 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is FSNPQCZEIZSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(2)8-7-15(10-17)19-12-16-9-13-5-3-4-6-14(13)11-18-16/h3-6,15-16,18-19H,7-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine?
3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 114547544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).