1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol

C18H39NO — CID 79390324

IUPAC1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCCCCCCCCCCCN(CC)CC(C)(C)O
InChIInChI=1S/C18H39NO/c1-5-7-8-9-10-11-12-13-14-15-16-19(6-2)17-18(3,4)20/h20H,5-17H2,1-4H3
InChIKeyOBFSVQGJUYLXLR-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.00
Rot. Bonds14

About 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol

1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 79390324) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID79390324
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCCCCCCCCCCCN(CC)CC(C)(C)O
InChIInChI=1S/C18H39NO/c1-5-7-8-9-10-11-12-13-14-15-16-19(6-2)17-18(3,4)20/h20H,5-17H2,1-4H3
InChIKeyOBFSVQGJUYLXLR-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.00
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

1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267

Frequently Asked Questions

What is the IUPAC name of 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol (CID 79390324) is 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol is CCCCCCCCCCCCN(CC)CC(C)(C)O.
What is the InChIKey of 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is OBFSVQGJUYLXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-5-7-8-9-10-11-12-13-14-15-16-19(6-2)17-18(3,4)20/h20H,5-17H2,1-4H3.
What are the key properties of 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol?
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 285.52 g/mol, XLogP of 5.00, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).