N,N-diethylethanamine;hexane;propan-2-ol

C15H37NO — CID 18422956

IUPACN,N-diethylethanamine;hexane;propan-2-ol
SMILESCC(C)O.CCCCCC.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H14.C3H8O/c1-4-7(5-2)6-3;1-3-5-6-4-2;1-3(2)4/h4-6H2,1-3H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyUDUKYWGFJNROKI-UHFFFAOYSA-N
MW247.47 g/mol
LogP4.32
Rot. Bonds6

About N,N-diethylethanamine;hexane;propan-2-ol

N,N-diethylethanamine;hexane;propan-2-ol (PubChem CID 18422956) has the molecular formula C15H37NO and a molecular weight of 247.47 g/mol. Its IUPAC name is N,N-diethylethanamine;hexane;propan-2-ol.

Molecular Properties

Compound NameN,N-diethylethanamine;hexane;propan-2-ol
PubChem CID18422956
Molecular FormulaC15H37NO
Molecular Weight247.47 g/mol
Exact Mass247.29
IUPAC NameN,N-diethylethanamine;hexane;propan-2-ol
SMILESCC(C)O.CCCCCC.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H14.C3H8O/c1-4-7(5-2)6-3;1-3-5-6-4-2;1-3(2)4/h4-6H2,1-3H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyUDUKYWGFJNROKI-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 54.32
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

octane;propan-2-ol
CID 160746796
N,N-diethylethanamine;dodecan-1-ol
CID 174736135
ethane;hexane;2-methylpropane
CID 143834457
1-(diethylamino)octan-3-ol
CID 79086680
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
ethane;heptane;2-methylpropane
CID 167499531
2-[ethyl(octadecyl)amino]ethane-1,1-diol;hydrochloride
CID 173150184
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
1-bromobutane;N,N-diethylethanamine
CID 87357591
N-ethylethanamine;hexane;methanol;propan-2-ol
CID 86585335
heptane;propan-2-ol;sulfuric acid
CID 87329461

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hexane;propan-2-ol?
The IUPAC name of N,N-diethylethanamine;hexane;propan-2-ol (CID 18422956) is N,N-diethylethanamine;hexane;propan-2-ol.
What is the SMILES notation for N,N-diethylethanamine;hexane;propan-2-ol?
The canonical SMILES for N,N-diethylethanamine;hexane;propan-2-ol is CC(C)O.CCCCCC.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;hexane;propan-2-ol?
The InChIKey is UDUKYWGFJNROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H14.C3H8O/c1-4-7(5-2)6-3;1-3-5-6-4-2;1-3(2)4/h4-6H2,1-3H3;3-6H2,1-2H3;3-4H,1-2H3.
What are the key properties of N,N-diethylethanamine;hexane;propan-2-ol?
N,N-diethylethanamine;hexane;propan-2-ol has a molecular weight of 247.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hexane;propan-2-ol is sourced from PubChem (CID 18422956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).