N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine

C16H28N4 — CID 79234172

IUPACN-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-17-16-7-5-6-15(18-16)13-20-10-8-19(9-11-20)12-14(2)3/h5-7,14H,4,8-13H2,1-3H3,(H,17,18)
InChIKeyWETUWTXOJDIWNS-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine

N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 79234172) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID79234172
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-17-16-7-5-6-15(18-16)13-20-10-8-19(9-11-20)12-14(2)3/h5-7,14H,4,8-13H2,1-3H3,(H,17,18)
InChIKeyWETUWTXOJDIWNS-UHFFFAOYSA-N
XLogP2.29
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine (CID 79234172) is N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine is CCNc1cccc(CN2CCN(CC(C)C)CC2)n1.
What is the InChIKey of N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is WETUWTXOJDIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-17-16-7-5-6-15(18-16)13-20-10-8-19(9-11-20)12-14(2)3/h5-7,14H,4,8-13H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine?
N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 79234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).