N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine

C15H26N4 — CID 79233123

IUPACN-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-16-14-8-6-7-13(17-14)11-19-10-9-18(4)15(2,3)12-19/h6-8H,5,9-12H2,1-4H3,(H,16,17)
InChIKeyDJQWINRSCQGNHC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine

N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 79233123) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID79233123
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-16-14-8-6-7-13(17-14)11-19-10-9-18(4)15(2,3)12-19/h6-8H,5,9-12H2,1-4H3,(H,16,17)
InChIKeyDJQWINRSCQGNHC-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine (CID 79233123) is N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine is CCNc1cccc(CN2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is DJQWINRSCQGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-16-14-8-6-7-13(17-14)11-19-10-9-18(4)15(2,3)12-19/h6-8H,5,9-12H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3,3,4-trimethylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79233123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).