N-ethylethanamine;hexane;methanol;propan-2-ol

C14H37NO2 — CID 86585335

IUPACN-ethylethanamine;hexane;methanol;propan-2-ol
SMILESCC(C)O.CCCCCC.CCNCC.CO
InChIInChI=1S/C6H14.C4H11N.C3H8O.CH4O/c1-3-5-6-4-2;1-3-5-4-2;1-3(2)4;1-2/h3-6H2,1-2H3;5H,3-4H2,1-2H3;3-4H,1-2H3;2H,1H3
InChIKeyIOKMHZZPGUHRFL-UHFFFAOYSA-N
MW251.45 g/mol
LogP3.20
Rot. Bonds5

About N-ethylethanamine;hexane;methanol;propan-2-ol

N-ethylethanamine;hexane;methanol;propan-2-ol (PubChem CID 86585335) has the molecular formula C14H37NO2 and a molecular weight of 251.45 g/mol. Its IUPAC name is N-ethylethanamine;hexane;methanol;propan-2-ol.

Molecular Properties

Compound NameN-ethylethanamine;hexane;methanol;propan-2-ol
PubChem CID86585335
Molecular FormulaC14H37NO2
Molecular Weight251.45 g/mol
Exact Mass251.28
IUPAC NameN-ethylethanamine;hexane;methanol;propan-2-ol
SMILESCC(C)O.CCCCCC.CCNCC.CO
InChIInChI=1S/C6H14.C4H11N.C3H8O.CH4O/c1-3-5-6-4-2;1-3-5-4-2;1-3(2)4;1-2/h3-6H2,1-2H3;5H,3-4H2,1-2H3;3-4H,1-2H3;2H,1H3
InChIKeyIOKMHZZPGUHRFL-UHFFFAOYSA-N
XLogP3.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octane;propan-2-ol
CID 160746796
ethane;N-ethylethanamine;heptane
CID 144585900
butan-1-ol;methanol;propan-2-ol
CID 23284119
CID 143798438
CID 143798438
1-(ethylamino)octan-2-ol
CID 62774096
N,N-diethylethanamine;hexane;propan-2-ol
CID 18422956
1-(ethylamino)decan-4-ol
CID 159715833
methanol;undecane
CID 161373911
1-(pentylamino)propan-2-ol
CID 3016247
1-(ethylamino)hexan-2-ol
CID 54078804
3-ethyldodecane;bis(N-ethylethanamine)
CID 160952353
N-ethylethanamine;tetradecan-1-amine
CID 174652830

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;hexane;methanol;propan-2-ol?
The IUPAC name of N-ethylethanamine;hexane;methanol;propan-2-ol (CID 86585335) is N-ethylethanamine;hexane;methanol;propan-2-ol.
What is the SMILES notation for N-ethylethanamine;hexane;methanol;propan-2-ol?
The canonical SMILES for N-ethylethanamine;hexane;methanol;propan-2-ol is CC(C)O.CCCCCC.CCNCC.CO.
What is the InChIKey of N-ethylethanamine;hexane;methanol;propan-2-ol?
The InChIKey is IOKMHZZPGUHRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H11N.C3H8O.CH4O/c1-3-5-6-4-2;1-3-5-4-2;1-3(2)4;1-2/h3-6H2,1-2H3;5H,3-4H2,1-2H3;3-4H,1-2H3;2H,1H3.
What are the key properties of N-ethylethanamine;hexane;methanol;propan-2-ol?
N-ethylethanamine;hexane;methanol;propan-2-ol has a molecular weight of 251.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;hexane;methanol;propan-2-ol is sourced from PubChem (CID 86585335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).