ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine

C18H44N2 — CID 177188375

IUPACethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
SMILESCC.CC.CC.CCNCCC1(CC)CCN(C)CC1
InChIInChI=1S/C12H26N2.3C2H6/c1-4-12(6-9-13-5-2)7-10-14(3)11-8-12;3*1-2/h13H,4-11H2,1-3H3;3*1-2H3
InChIKeyQUCCFDZBVSIWKQ-UHFFFAOYSA-N
MW288.56 g/mol
LogP5.19
Rot. Bonds5

About ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine

ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine (PubChem CID 177188375) has the molecular formula C18H44N2 and a molecular weight of 288.56 g/mol. Its IUPAC name is ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
PubChem CID177188375
Molecular FormulaC18H44N2
Molecular Weight288.56 g/mol
Exact Mass288.35
IUPAC Nameethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
SMILESCC.CC.CC.CCNCCC1(CC)CCN(C)CC1
InChIInChI=1S/C12H26N2.3C2H6/c1-4-12(6-9-13-5-2)7-10-14(3)11-8-12;3*1-2/h13H,4-11H2,1-3H3;3*1-2H3
InChIKeyQUCCFDZBVSIWKQ-UHFFFAOYSA-N
XLogP5.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-1-methylpyrrolidine;ethane
CID 177188289
1-(4-ethyl-1-methylpiperidin-4-yl)-N-methylmethanamine
CID 83635773
4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine
CID 91034487
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 63163529
ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
CID 145022542
sodium;4,4-di(ethyl)-1-methylpiperidine;ethane
CID 177136872
ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
CID 172617220
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine
CID 145416385
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
3-ethyl-3-(2-methoxyethyl)-1-methylpyrrolidine
CID 164595752
N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
CID 174352826

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine (CID 177188375) is ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine is CC.CC.CC.CCNCCC1(CC)CCN(C)CC1.
What is the InChIKey of ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine?
The InChIKey is QUCCFDZBVSIWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.3C2H6/c1-4-12(6-9-13-5-2)7-10-14(3)11-8-12;3*1-2/h13H,4-11H2,1-3H3;3*1-2H3.
What are the key properties of ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine?
ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine has a molecular weight of 288.56 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 177188375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).