ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine

C25H55NO — CID 162756650

IUPACethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
SMILESCC.CCCCCCCCCCCCCCCCNCC(C)(C)COCC
InChIInChI=1S/C23H49NO.C2H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23(3,4)22-25-6-2;1-2/h24H,5-22H2,1-4H3;1-2H3
InChIKeyGKUQEDBTKVAVBL-UHFFFAOYSA-N
MW385.72 g/mol
LogP8.15
Rot. Bonds20

About ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine

ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine (PubChem CID 162756650) has the molecular formula C25H55NO and a molecular weight of 385.72 g/mol. Its IUPAC name is ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine.

Molecular Properties

Compound Nameethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
PubChem CID162756650
Molecular FormulaC25H55NO
Molecular Weight385.72 g/mol
Exact Mass385.43
IUPAC Nameethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
SMILESCC.CCCCCCCCCCCCCCCCNCC(C)(C)COCC
InChIInChI=1S/C23H49NO.C2H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23(3,4)22-25-6-2;1-2/h24H,5-22H2,1-4H3;1-2H3
InChIKeyGKUQEDBTKVAVBL-UHFFFAOYSA-N
XLogP8.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.72
LogP ≤ 58.15
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

N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
CID 143711406
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
azane;1-ethoxy-2,2-dimethyldecane
CID 175176661
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-methyl-1-(octylamino)propan-2-ol
CID 65103945

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine?
The IUPAC name of ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine (CID 162756650) is ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine.
What is the SMILES notation for ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine?
The canonical SMILES for ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine is CC.CCCCCCCCCCCCCCCCNCC(C)(C)COCC.
What is the InChIKey of ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine?
The InChIKey is GKUQEDBTKVAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO.C2H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-23(3,4)22-25-6-2;1-2/h24H,5-22H2,1-4H3;1-2H3.
What are the key properties of ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine?
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine has a molecular weight of 385.72 g/mol, XLogP of 8.15, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine is sourced from PubChem (CID 162756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).