4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine

C14H24N4 — CID 44546966

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-12(2)11-16-14-10-13(4-5-15-14)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,16)
InChIKeyMYCNPPHJKZGYMD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.90
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine

4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 44546966) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID44546966
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-12(2)11-16-14-10-13(4-5-15-14)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,16)
InChIKeyMYCNPPHJKZGYMD-UHFFFAOYSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine (CID 44546966) is 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine is CC(C)CNc1cc(N2CCN(C)CC2)ccn1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is MYCNPPHJKZGYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)11-16-14-10-13(4-5-15-14)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 44546966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).