N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine

C18H29N3 — CID 81218412

IUPACN,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C18H29N3/c1-4-20(5-2)17-10-11-21(13-17)16-8-9-18-15(12-16)7-6-14(3)19-18/h8-9,12,14,17,19H,4-7,10-11,13H2,1-3H3
InChIKeyWAGHXUZDMXEGDS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.35
Rot. Bonds4

About N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine

N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (PubChem CID 81218412) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
PubChem CID81218412
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C18H29N3/c1-4-20(5-2)17-10-11-21(13-17)16-8-9-18-15(12-16)7-6-14(3)19-18/h8-9,12,14,17,19H,4-7,10-11,13H2,1-3H3
InChIKeyWAGHXUZDMXEGDS-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (CID 81218412) is N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is CCN(CC)C1CCN(c2ccc3c(c2)CCC(C)N3)C1.
What is the InChIKey of N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The InChIKey is WAGHXUZDMXEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-20(5-2)17-10-11-21(13-17)16-8-9-18-15(12-16)7-6-14(3)19-18/h8-9,12,14,17,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is sourced from PubChem (CID 81218412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).