N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine

C17H29N3 — CID 80649623

IUPACN,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cccc2c1NCCC2
InChIInChI=1S/C17H29N3/c1-17(2,13-20(3)4)12-18-11-15-8-5-7-14-9-6-10-19-16(14)15/h5,7-8,18-19H,6,9-13H2,1-4H3
InChIKeyIFIFZZYSTOHLNG-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine (PubChem CID 80649623) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
PubChem CID80649623
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cccc2c1NCCC2
InChIInChI=1S/C17H29N3/c1-17(2,13-20(3)4)12-18-11-15-8-5-7-14-9-6-10-19-16(14)15/h5,7-8,18-19H,6,9-13H2,1-4H3
InChIKeyIFIFZZYSTOHLNG-UHFFFAOYSA-N
XLogP2.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine (CID 80649623) is N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine is CN(C)CC(C)(C)CNCc1cccc2c1NCCC2.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine?
The InChIKey is IFIFZZYSTOHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,13-20(3)4)12-18-11-15-8-5-7-14-9-6-10-19-16(14)15/h5,7-8,18-19H,6,9-13H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 80649623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).