N,N-diethylethanamine;dodecan-1-ol

C18H41NO — CID 174736135

IUPACN,N-diethylethanamine;dodecan-1-ol
SMILESCCCCCCCCCCCCO.CCN(CC)CC
InChIInChI=1S/C12H26O.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-7(5-2)6-3/h13H,2-12H2,1H3;4-6H2,1-3H3
InChIKeyZJGOCVZGFYSOHP-UHFFFAOYSA-N
MW287.53 g/mol
LogP5.25
Rot. Bonds13

About N,N-diethylethanamine;dodecan-1-ol

N,N-diethylethanamine;dodecan-1-ol (PubChem CID 174736135) has the molecular formula C18H41NO and a molecular weight of 287.53 g/mol. Its IUPAC name is N,N-diethylethanamine;dodecan-1-ol.

Molecular Properties

Compound NameN,N-diethylethanamine;dodecan-1-ol
PubChem CID174736135
Molecular FormulaC18H41NO
Molecular Weight287.53 g/mol
Exact Mass287.32
IUPAC NameN,N-diethylethanamine;dodecan-1-ol
SMILESCCCCCCCCCCCCO.CCN(CC)CC
InChIInChI=1S/C12H26O.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-7(5-2)6-3/h13H,2-12H2,1H3;4-6H2,1-3H3
InChIKeyZJGOCVZGFYSOHP-UHFFFAOYSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethylethanamine;dodecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecan-1-ol;ethane
CID 87449114
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;dodecan-1-ol?
The IUPAC name of N,N-diethylethanamine;dodecan-1-ol (CID 174736135) is N,N-diethylethanamine;dodecan-1-ol.
What is the SMILES notation for N,N-diethylethanamine;dodecan-1-ol?
The canonical SMILES for N,N-diethylethanamine;dodecan-1-ol is CCCCCCCCCCCCO.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;dodecan-1-ol?
The InChIKey is ZJGOCVZGFYSOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4-7(5-2)6-3/h13H,2-12H2,1H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;dodecan-1-ol?
N,N-diethylethanamine;dodecan-1-ol has a molecular weight of 287.53 g/mol, XLogP of 5.25, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;dodecan-1-ol is sourced from PubChem (CID 174736135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).