N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine

C14H31NO — CID 79621838

IUPACN-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
SMILESCCCCCCCOCC(C)(C)CNCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-10-11-16-13-14(3,4)12-15-6-2/h15H,5-13H2,1-4H3
InChIKeyNIDIYYFSLYAEBF-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine

N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine (PubChem CID 79621838) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
PubChem CID79621838
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
SMILESCCCCCCCOCC(C)(C)CNCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-10-11-16-13-14(3,4)12-15-6-2/h15H,5-13H2,1-4H3
InChIKeyNIDIYYFSLYAEBF-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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

3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627569
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
CID 134366206
CID 159860963
CID 159860963
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine (CID 79621838) is N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine is CCCCCCCOCC(C)(C)CNCC.
What is the InChIKey of N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine?
The InChIKey is NIDIYYFSLYAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-8-9-10-11-16-13-14(3,4)12-15-6-2/h15H,5-13H2,1-4H3.
What are the key properties of N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine?
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79621838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).