N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine

C16H25N3 — CID 104557518

IUPACN,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cccc3c2CCNC3)C1
InChIInChI=1S/C16H25N3/c1-18(2)15-7-9-19(12-15)11-14-5-3-4-13-10-17-8-6-16(13)14/h3-5,15,17H,6-12H2,1-2H3
InChIKeyAFSQMNMNWCHILB-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.47
Rot. Bonds3

About N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine

N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 104557518) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
PubChem CID104557518
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cccc3c2CCNC3)C1
InChIInChI=1S/C16H25N3/c1-18(2)15-7-9-19(12-15)11-14-5-3-4-13-10-17-8-6-16(13)14/h3-5,15,17H,6-12H2,1-2H3
InChIKeyAFSQMNMNWCHILB-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557490
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557329
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
CID 104557435
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine (CID 104557518) is N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine is CN(C)C1CCN(Cc2cccc3c2CCNC3)C1.
What is the InChIKey of N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is AFSQMNMNWCHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)15-7-9-19(12-15)11-14-5-3-4-13-10-17-8-6-16(13)14/h3-5,15,17H,6-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine?
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 104557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).