N-(2,2-dimethoxyethyl)dodecan-1-amine

C16H35NO2 — CID 10308222

IUPACN-(2,2-dimethoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(OC)OC
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18-2)19-3/h16-17H,4-15H2,1-3H3
InChIKeyVBIMGJRKPAXZAF-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.12
Rot. Bonds15

About N-(2,2-dimethoxyethyl)dodecan-1-amine

N-(2,2-dimethoxyethyl)dodecan-1-amine (PubChem CID 10308222) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)dodecan-1-amine
PubChem CID10308222
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN-(2,2-dimethoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(OC)OC
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18-2)19-3/h16-17H,4-15H2,1-3H3
InChIKeyVBIMGJRKPAXZAF-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.12
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

N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
CID 146606613
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
[2-(heptylamino)-1-trihydroxyphosphaniumylethyl]-trihydroxyphosphanium
CID 78225533
2-(octadecylamino)ethane-1,1-diol;hydrate
CID 173098579

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)dodecan-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)dodecan-1-amine (CID 10308222) is N-(2,2-dimethoxyethyl)dodecan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)dodecan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)dodecan-1-amine is CCCCCCCCCCCCNCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)dodecan-1-amine?
The InChIKey is VBIMGJRKPAXZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18-2)19-3/h16-17H,4-15H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)dodecan-1-amine?
N-(2,2-dimethoxyethyl)dodecan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.12, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)dodecan-1-amine is sourced from PubChem (CID 10308222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).