3,3-di(tetradecoxy)propylideneazanium

C31H64NO2+ — CID 56988710

IUPAC3,3-di(tetradecoxy)propylideneazanium
SMILESCCCCCCCCCCCCCCOC(CC=[NH2+])OCCCCCCCCCCCCCC
InChIInChI=1S/C31H63NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-31(27-28-32)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,31-32H,3-27,29-30H2,1-2H3/p+1
InChIKeyJJEDDLQPSZCWBW-UHFFFAOYSA-O
MW482.86 g/mol
LogP8.97
Rot. Bonds30

About 3,3-di(tetradecoxy)propylideneazanium

3,3-di(tetradecoxy)propylideneazanium (PubChem CID 56988710) has the molecular formula C31H64NO2+ and a molecular weight of 482.86 g/mol. Its IUPAC name is 3,3-di(tetradecoxy)propylideneazanium.

Molecular Properties

Compound Name3,3-di(tetradecoxy)propylideneazanium
PubChem CID56988710
Molecular FormulaC31H64NO2+
Molecular Weight482.86 g/mol
Exact Mass482.49
IUPAC Name3,3-di(tetradecoxy)propylideneazanium
SMILESCCCCCCCCCCCCCCOC(CC=[NH2+])OCCCCCCCCCCCCCC
InChIInChI=1S/C31H63NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-31(27-28-32)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,31-32H,3-27,29-30H2,1-2H3/p+1
InChIKeyJJEDDLQPSZCWBW-UHFFFAOYSA-O
XLogP8.97
TPSA44.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.86
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-6,6-diheptoxyhex-3-en-1-ol
CID 163205871
1-(1-propoxypropoxy)hexane
CID 89482622
1,1-dibutoxyoctane
CID 54557001
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
1-(difluoromethoxy)decane
CID 14400535
1-undecoxypropan-1-ol
CID 139971923
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-heptoxypropan-1-ol
CID 19598529
6-methyl-1,1-dioctoxyheptane
CID 171428766
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
1-(3,3,3-trifluoro-1-heptoxypropoxy)heptane
CID 141447005

Frequently Asked Questions

What is the IUPAC name of 3,3-di(tetradecoxy)propylideneazanium?
The IUPAC name of 3,3-di(tetradecoxy)propylideneazanium (CID 56988710) is 3,3-di(tetradecoxy)propylideneazanium.
What is the SMILES notation for 3,3-di(tetradecoxy)propylideneazanium?
The canonical SMILES for 3,3-di(tetradecoxy)propylideneazanium is CCCCCCCCCCCCCCOC(CC=[NH2+])OCCCCCCCCCCCCCC.
What is the InChIKey of 3,3-di(tetradecoxy)propylideneazanium?
The InChIKey is JJEDDLQPSZCWBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H63NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-31(27-28-32)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,31-32H,3-27,29-30H2,1-2H3/p+1.
What are the key properties of 3,3-di(tetradecoxy)propylideneazanium?
3,3-di(tetradecoxy)propylideneazanium has a molecular weight of 482.86 g/mol, XLogP of 8.97, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(tetradecoxy)propylideneazanium is sourced from PubChem (CID 56988710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).