5,5-dimethoxytetradecan-1-amine

C16H35NO2 — CID 150037650

IUPAC5,5-dimethoxytetradecan-1-amine
SMILESCCCCCCCCCC(CCCCN)(OC)OC
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-13-16(18-2,19-3)14-11-12-15-17/h4-15,17H2,1-3H3
InChIKeyDIPHCINXJUQHTG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.25
Rot. Bonds14

About 5,5-dimethoxytetradecan-1-amine

5,5-dimethoxytetradecan-1-amine (PubChem CID 150037650) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 5,5-dimethoxytetradecan-1-amine.

Molecular Properties

Compound Name5,5-dimethoxytetradecan-1-amine
PubChem CID150037650
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name5,5-dimethoxytetradecan-1-amine
SMILESCCCCCCCCCC(CCCCN)(OC)OC
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-13-16(18-2,19-3)14-11-12-15-17/h4-15,17H2,1-3H3
InChIKeyDIPHCINXJUQHTG-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethoxynonane
CID 14785776
1,4,4-trimethoxytridecane
CID 150006661
3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909
1,2,2-trimethoxyundecane
CID 151416745
calcium;hexan-1-amine;difluoride
CID 160795934
dotetracontan-1-amine
CID 14550497
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
1,1,1-trimethoxytridecane
CID 102481821
hexadecan-1-amine;zinc
CID 175602655

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxytetradecan-1-amine?
The IUPAC name of 5,5-dimethoxytetradecan-1-amine (CID 150037650) is 5,5-dimethoxytetradecan-1-amine.
What is the SMILES notation for 5,5-dimethoxytetradecan-1-amine?
The canonical SMILES for 5,5-dimethoxytetradecan-1-amine is CCCCCCCCCC(CCCCN)(OC)OC.
What is the InChIKey of 5,5-dimethoxytetradecan-1-amine?
The InChIKey is DIPHCINXJUQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-13-16(18-2,19-3)14-11-12-15-17/h4-15,17H2,1-3H3.
What are the key properties of 5,5-dimethoxytetradecan-1-amine?
5,5-dimethoxytetradecan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.25, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxytetradecan-1-amine is sourced from PubChem (CID 150037650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).