[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine

C16H28N4 — CID 62773611

IUPAC[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCCC(C)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C16H28N4/c1-5-14(4)19-6-8-20(9-7-19)16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9,11,17H2,1-4H3
InChIKeyTUKDWMAKNYMDIT-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.08
Rot. Bonds4

About [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine

[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 62773611) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
PubChem CID62773611
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCCC(C)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C16H28N4/c1-5-14(4)19-6-8-20(9-7-19)16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9,11,17H2,1-4H3
InChIKeyTUKDWMAKNYMDIT-UHFFFAOYSA-N
XLogP2.08
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine (CID 62773611) is [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine is CCC(C)N1CCN(c2nc(C)cc(C)c2CN)CC1.
What is the InChIKey of [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is TUKDWMAKNYMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-14(4)19-6-8-20(9-7-19)16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9,11,17H2,1-4H3.
What are the key properties of [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine?
[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 276.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 62773611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).