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

C14H24N4 — CID 118725541

IUPACN-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCCCCNc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-3-4-6-15-14-12-13(5-7-16-14)18-10-8-17(2)9-11-18/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,15,16)
InChIKeyCXDOPVWHKMAKIX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

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

N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 118725541) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID118725541
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCCCCNc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-3-4-6-15-14-12-13(5-7-16-14)18-10-8-17(2)9-11-18/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,15,16)
InChIKeyCXDOPVWHKMAKIX-UHFFFAOYSA-N
XLogP2.05
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 118725541) is N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is CCCCNc1cc(N2CCN(C)CC2)ccn1.
What is the InChIKey of N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is CXDOPVWHKMAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-6-15-14-12-13(5-7-16-14)18-10-8-17(2)9-11-18/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 118725541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).