(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine

C15H23N3 — CID 9170181

IUPAC(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCN(C)c1ccc2c(c1)CNC[C@@H]2N1CCCC1
InChIInChI=1S/C15H23N3/c1-17(2)13-5-6-14-12(9-13)10-16-11-15(14)18-7-3-4-8-18/h5-6,9,15-16H,3-4,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyJPVANGSUNMFMPT-HNNXBMFYSA-N
MW245.37 g/mol
LogP1.99
Rot. Bonds2

About (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine

(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 9170181) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID9170181
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCN(C)c1ccc2c(c1)CNC[C@@H]2N1CCCC1
InChIInChI=1S/C15H23N3/c1-17(2)13-5-6-14-12(9-13)10-16-11-15(14)18-7-3-4-8-18/h5-6,9,15-16H,3-4,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyJPVANGSUNMFMPT-HNNXBMFYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine with MolForge

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Related Compounds

(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081
(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
CID 9170136
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170114
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169018
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 9170181) is (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine is CN(C)c1ccc2c(c1)CNC[C@@H]2N1CCCC1.
What is the InChIKey of (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is JPVANGSUNMFMPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17(2)13-5-6-14-12(9-13)10-16-11-15(14)18-7-3-4-8-18/h5-6,9,15-16H,3-4,7-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine?
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 245.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 9170181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).