N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine

C9H21N3 — CID 18695004

IUPACN,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine
SMILESCC(N(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-9(10(2)3)12-7-5-11(4)6-8-12/h9H,5-8H2,1-4H3
InChIKeyLGRZMVLKUDUPSB-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.14
Rot. Bonds2

About N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine

N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 18695004) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine
PubChem CID18695004
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine
SMILESCC(N(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-9(10(2)3)12-7-5-11(4)6-8-12/h9H,5-8H2,1-4H3
InChIKeyLGRZMVLKUDUPSB-UHFFFAOYSA-N
XLogP0.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine (CID 18695004) is N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine is CC(N(C)C)N1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is LGRZMVLKUDUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(10(2)3)12-7-5-11(4)6-8-12/h9H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine?
N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 171.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 18695004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).