N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine

C13H29N3 — CID 164595282

IUPACN,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
SMILESCC(C)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-13(2)5-6-15-9-11-16(12-10-15)8-7-14(3)4/h13H,5-12H2,1-4H3
InChIKeyAVQXWOMIHLRYBQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.21
Rot. Bonds6

About N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine (PubChem CID 164595282) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
PubChem CID164595282
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
SMILESCC(C)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-13(2)5-6-15-9-11-16(12-10-15)8-7-14(3)4/h13H,5-12H2,1-4H3
InChIKeyAVQXWOMIHLRYBQ-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
1-iodo-4-(3-methylbutyl)piperazine
CID 166948884
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
CID 62886982
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
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
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine (CID 164595282) is N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine is CC(C)CCN1CCN(CCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine?
The InChIKey is AVQXWOMIHLRYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2)5-6-15-9-11-16(12-10-15)8-7-14(3)4/h13H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine has a molecular weight of 227.40 g/mol, XLogP of 1.21, 6 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-(3-methylbutyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 164595282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).