2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine

C10H24N3+ — CID 139156598

IUPAC2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CC[N+](C)(C)CC1
InChIInChI=1S/C10H24N3/c1-11(2)5-6-12-7-9-13(3,4)10-8-12/h5-10H2,1-4H3/q+1
InChIKeyFNTGKGXDFQSWQP-UHFFFAOYSA-N
MW186.32 g/mol
LogP-0.06
Rot. Bonds3

About 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine

2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine (PubChem CID 139156598) has the molecular formula C10H24N3+ and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine
PubChem CID139156598
Molecular FormulaC10H24N3+
Molecular Weight186.32 g/mol
Exact Mass186.20
IUPAC Name2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CC[N+](C)(C)CC1
InChIInChI=1S/C10H24N3/c1-11(2)5-6-12-7-9-13(3,4)10-8-12/h5-10H2,1-4H3/q+1
InChIKeyFNTGKGXDFQSWQP-UHFFFAOYSA-N
XLogP-0.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium diiodide
CID 3065014
4-(2-chloroethyl)-1,1-dimethylpiperazin-1-ium chloride
CID 84819689
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
CID 155177393
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl-trifluoroboranuide
CID 55233982
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine (CID 139156598) is 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CC[N+](C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine?
The InChIKey is FNTGKGXDFQSWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N3/c1-11(2)5-6-12-7-9-13(3,4)10-8-12/h5-10H2,1-4H3/q+1.
What are the key properties of 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine?
2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine has a molecular weight of 186.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 139156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).