[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

C17H28N4 — CID 63604653

IUPAC[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCN1CCN(c2nc3c(cc2CN)CCCC3)CC1(C)C
InChIInChI=1S/C17H28N4/c1-17(2)12-21(9-8-20(17)3)16-14(11-18)10-13-6-4-5-7-15(13)19-16/h10H,4-9,11-12,18H2,1-3H3
InChIKeyFVIFXTMAXZKMQE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.95
Rot. Bonds2

About [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (PubChem CID 63604653) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
PubChem CID63604653
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCN1CCN(c2nc3c(cc2CN)CCCC3)CC1(C)C
InChIInChI=1S/C17H28N4/c1-17(2)12-21(9-8-20(17)3)16-14(11-18)10-13-6-4-5-7-15(13)19-16/h10H,4-9,11-12,18H2,1-3H3
InChIKeyFVIFXTMAXZKMQE-UHFFFAOYSA-N
XLogP1.95
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (CID 63604653) is [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.
What is the SMILES notation for [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The canonical SMILES for [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is CN1CCN(c2nc3c(cc2CN)CCCC3)CC1(C)C.
What is the InChIKey of [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The InChIKey is FVIFXTMAXZKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2)12-21(9-8-20(17)3)16-14(11-18)10-13-6-4-5-7-15(13)19-16/h10H,4-9,11-12,18H2,1-3H3.
What are the key properties of [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is sourced from PubChem (CID 63604653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).