N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine

C14H23N3 — CID 63694889

IUPACN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)C1CNc2ccccc2C1
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)13-10-12-6-4-5-7-14(12)15-11-13/h4-7,13,15H,8-11H2,1-3H3
InChIKeyLBXXPVYEWCXWSX-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.52
Rot. Bonds4

About N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine (PubChem CID 63694889) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
PubChem CID63694889
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)C1CNc2ccccc2C1
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)13-10-12-6-4-5-7-14(12)15-11-13/h4-7,13,15H,8-11H2,1-3H3
InChIKeyLBXXPVYEWCXWSX-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine (CID 63694889) is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine is CN(C)CCN(C)C1CNc2ccccc2C1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine?
The InChIKey is LBXXPVYEWCXWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)8-9-17(3)13-10-12-6-4-5-7-14(12)15-11-13/h4-7,13,15H,8-11H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63694889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).