2,3-didodecoxy-N-methylpropan-1-amine

C28H59NO2 — CID 170032981

IUPAC2,3-didodecoxy-N-methylpropan-1-amine
SMILESCCCCCCCCCCCCOCC(CNC)OCCCCCCCCCCCC
InChIInChI=1S/C28H59NO2/c1-4-6-8-10-12-14-16-18-20-22-24-30-27-28(26-29-3)31-25-23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-27H2,1-3H3
InChIKeyPAIPLMDGRNWXOS-UHFFFAOYSA-N
MW441.79 g/mol
LogP8.45
Rot. Bonds27

About 2,3-didodecoxy-N-methylpropan-1-amine

2,3-didodecoxy-N-methylpropan-1-amine (PubChem CID 170032981) has the molecular formula C28H59NO2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 2,3-didodecoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,3-didodecoxy-N-methylpropan-1-amine
PubChem CID170032981
Molecular FormulaC28H59NO2
Molecular Weight441.79 g/mol
Exact Mass441.45
IUPAC Name2,3-didodecoxy-N-methylpropan-1-amine
SMILESCCCCCCCCCCCCOCC(CNC)OCCCCCCCCCCCC
InChIInChI=1S/C28H59NO2/c1-4-6-8-10-12-14-16-18-20-22-24-30-27-28(26-29-3)31-25-23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-27H2,1-3H3
InChIKeyPAIPLMDGRNWXOS-UHFFFAOYSA-N
XLogP8.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hexoxy-3-octoxypropoxy)-N-methyl-3-octoxypropan-1-amine;methane
CID 160767602
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
N-methyl-2,3-dipropoxypropan-1-amine
CID 21133087
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
N'-(2,3-dihexadecoxypropyl)-N-[2-[2-(2,3-dihexadecoxypropylamino)ethylamino]ethyl]butane-1,4-diamine
CID 122684129
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478

Frequently Asked Questions

What is the IUPAC name of 2,3-didodecoxy-N-methylpropan-1-amine?
The IUPAC name of 2,3-didodecoxy-N-methylpropan-1-amine (CID 170032981) is 2,3-didodecoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2,3-didodecoxy-N-methylpropan-1-amine?
The canonical SMILES for 2,3-didodecoxy-N-methylpropan-1-amine is CCCCCCCCCCCCOCC(CNC)OCCCCCCCCCCCC.
What is the InChIKey of 2,3-didodecoxy-N-methylpropan-1-amine?
The InChIKey is PAIPLMDGRNWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2/c1-4-6-8-10-12-14-16-18-20-22-24-30-27-28(26-29-3)31-25-23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-27H2,1-3H3.
What are the key properties of 2,3-didodecoxy-N-methylpropan-1-amine?
2,3-didodecoxy-N-methylpropan-1-amine has a molecular weight of 441.79 g/mol, XLogP of 8.45, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didodecoxy-N-methylpropan-1-amine is sourced from PubChem (CID 170032981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).