ethane;1-[2-(3-methylbutoxy)ethyl]piperazine

C13H30N2O — CID 176984616

IUPACethane;1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC.CC(C)CCOCCN1CCNCC1
InChIInChI=1S/C11H24N2O.C2H6/c1-11(2)3-9-14-10-8-13-6-4-12-5-7-13;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyNQWQHZJXARADGO-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds6

About ethane;1-[2-(3-methylbutoxy)ethyl]piperazine

ethane;1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 176984616) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID176984616
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC.CC(C)CCOCCN1CCNCC1
InChIInChI=1S/C11H24N2O.C2H6/c1-11(2)3-9-14-10-8-13-6-4-12-5-7-13;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyNQWQHZJXARADGO-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
1-(8-methylnonyl)piperazine
CID 170614920
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[[1-[4-(3-methylbutoxy)butoxymethyl]azetidin-3-yl]methyl]piperazine
CID 156820654
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64844424
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of ethane;1-[2-(3-methylbutoxy)ethyl]piperazine (CID 176984616) is ethane;1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for ethane;1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for ethane;1-[2-(3-methylbutoxy)ethyl]piperazine is CC.CC(C)CCOCCN1CCNCC1.
What is the InChIKey of ethane;1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is NQWQHZJXARADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C2H6/c1-11(2)3-9-14-10-8-13-6-4-12-5-7-13;1-2/h11-12H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(3-methylbutoxy)ethyl]piperazine?
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 176984616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).