N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C17H30N4 — CID 63619592

IUPACN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(c2cc(CNC(C)(C)C)ccn2)CC1C
InChIInChI=1S/C17H30N4/c1-6-20-9-10-21(13-14(20)2)16-11-15(7-8-18-16)12-19-17(3,4)5/h7-8,11,14,19H,6,9-10,12-13H2,1-5H3
InChIKeyWVHQSWSLOJJRAI-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.50
Rot. Bonds4

About N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 63619592) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID63619592
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(c2cc(CNC(C)(C)C)ccn2)CC1C
InChIInChI=1S/C17H30N4/c1-6-20-9-10-21(13-14(20)2)16-11-15(7-8-18-16)12-19-17(3,4)5/h7-8,11,14,19H,6,9-10,12-13H2,1-5H3
InChIKeyWVHQSWSLOJJRAI-UHFFFAOYSA-N
XLogP2.50
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 63619592) is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CCN1CCN(c2cc(CNC(C)(C)C)ccn2)CC1C.
What is the InChIKey of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WVHQSWSLOJJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-20-9-10-21(13-14(20)2)16-11-15(7-8-18-16)12-19-17(3,4)5/h7-8,11,14,19H,6,9-10,12-13H2,1-5H3.
What are the key properties of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63619592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).