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

C17H27N3 — CID 81464017

IUPACN,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine
SMILESCC1CN(CC2NCCc3ccccc32)CC1N(C)C
InChIInChI=1S/C17H27N3/c1-13-10-20(12-17(13)19(2)3)11-16-15-7-5-4-6-14(15)8-9-18-16/h4-7,13,16-18H,8-12H2,1-3H3
InChIKeyPXTRPAQLDRKVLI-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.76
Rot. Bonds3

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

N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 81464017) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine
PubChem CID81464017
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine
SMILESCC1CN(CC2NCCc3ccccc32)CC1N(C)C
InChIInChI=1S/C17H27N3/c1-13-10-20(12-17(13)19(2)3)11-16-15-7-5-4-6-14(15)8-9-18-16/h4-7,13,16-18H,8-12H2,1-3H3
InChIKeyPXTRPAQLDRKVLI-UHFFFAOYSA-N
XLogP1.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine (CID 81464017) is N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine is CC1CN(CC2NCCc3ccccc32)CC1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is PXTRPAQLDRKVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-10-20(12-17(13)19(2)3)11-16-15-7-5-4-6-14(15)8-9-18-16/h4-7,13,16-18H,8-12H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine?
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 81464017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).