N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane

C11H27N3 — CID 143417406

IUPACN,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
SMILESCC.CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyBHOHGKUOCVZSLK-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.82
Rot. Bonds3

About N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane

N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane (PubChem CID 143417406) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
PubChem CID143417406
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
SMILESCC.CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyBHOHGKUOCVZSLK-UHFFFAOYSA-N
XLogP0.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
3-(aminomethyl)pentan-3-ol;N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 67737589
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
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl-trifluoroboranuide
CID 55233982
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
CID 112561591
CID 58998079
CID 58998079
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane (CID 143417406) is N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane is CC.CN(C)CCN1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane?
The InChIKey is BHOHGKUOCVZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane?
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane has a molecular weight of 201.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane is sourced from PubChem (CID 143417406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).