ethane;4-ethoxy-N,N-dimethylbutan-1-amine

C12H31NO — CID 144519642

IUPACethane;4-ethoxy-N,N-dimethylbutan-1-amine
SMILESCC.CC.CCOCCCCN(C)C
InChIInChI=1S/C8H19NO.2C2H6/c1-4-10-8-6-5-7-9(2)3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyLOVHESXNKYESPJ-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.42
Rot. Bonds6

About ethane;4-ethoxy-N,N-dimethylbutan-1-amine

ethane;4-ethoxy-N,N-dimethylbutan-1-amine (PubChem CID 144519642) has the molecular formula C12H31NO and a molecular weight of 205.39 g/mol. Its IUPAC name is ethane;4-ethoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;4-ethoxy-N,N-dimethylbutan-1-amine
PubChem CID144519642
Molecular FormulaC12H31NO
Molecular Weight205.39 g/mol
Exact Mass205.24
IUPAC Nameethane;4-ethoxy-N,N-dimethylbutan-1-amine
SMILESCC.CC.CCOCCCCN(C)C
InChIInChI=1S/C8H19NO.2C2H6/c1-4-10-8-6-5-7-9(2)3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyLOVHESXNKYESPJ-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
CID 142389541
1-[5-(dimethylamino)pentoxy]propan-2-one
CID 118445875
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
1-[3-(dimethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945512
ethane;1-ethoxybutane
CID 143206406
2-[7-(dimethylamino)heptyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111944857
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
CID 105344268
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of ethane;4-ethoxy-N,N-dimethylbutan-1-amine (CID 144519642) is ethane;4-ethoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for ethane;4-ethoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for ethane;4-ethoxy-N,N-dimethylbutan-1-amine is CC.CC.CCOCCCCN(C)C.
What is the InChIKey of ethane;4-ethoxy-N,N-dimethylbutan-1-amine?
The InChIKey is LOVHESXNKYESPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.2C2H6/c1-4-10-8-6-5-7-9(2)3;2*1-2/h4-8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-ethoxy-N,N-dimethylbutan-1-amine?
ethane;4-ethoxy-N,N-dimethylbutan-1-amine has a molecular weight of 205.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 144519642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).