3-hexadecoxy-2-methoxypropan-1-amine

C20H43NO2 — CID 14992264

IUPAC3-hexadecoxy-2-methoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOCC(CN)OC
InChIInChI=1S/C20H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20H,3-19,21H2,1-2H3
InChIKeyIGPKCTOBVWUXPF-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.46
Rot. Bonds19

About 3-hexadecoxy-2-methoxypropan-1-amine

3-hexadecoxy-2-methoxypropan-1-amine (PubChem CID 14992264) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 3-hexadecoxy-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-hexadecoxy-2-methoxypropan-1-amine
PubChem CID14992264
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name3-hexadecoxy-2-methoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOCC(CN)OC
InChIInChI=1S/C20H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20H,3-19,21H2,1-2H3
InChIKeyIGPKCTOBVWUXPF-UHFFFAOYSA-N
XLogP5.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.46
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

1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
2-hexadecoxy-3-tetradecoxypropan-1-amine
CID 11827343
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
2-(hexadecoxymethyl)-3-methoxypropan-1-amine
CID 14835009
1-amino-3-heptoxypropan-2-ol
CID 43128013
10-(3-hexadecoxy-2-methoxypropoxy)decyl-trimethylazanium
CID 14654659
heptyl 4-amino-3-methoxybutanoate
CID 103158108
2-dodecoxy-3-octadec-9-enoxypropan-1-amine
CID 73078793

Frequently Asked Questions

What is the IUPAC name of 3-hexadecoxy-2-methoxypropan-1-amine?
The IUPAC name of 3-hexadecoxy-2-methoxypropan-1-amine (CID 14992264) is 3-hexadecoxy-2-methoxypropan-1-amine.
What is the SMILES notation for 3-hexadecoxy-2-methoxypropan-1-amine?
The canonical SMILES for 3-hexadecoxy-2-methoxypropan-1-amine is CCCCCCCCCCCCCCCCOCC(CN)OC.
What is the InChIKey of 3-hexadecoxy-2-methoxypropan-1-amine?
The InChIKey is IGPKCTOBVWUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20H,3-19,21H2,1-2H3.
What are the key properties of 3-hexadecoxy-2-methoxypropan-1-amine?
3-hexadecoxy-2-methoxypropan-1-amine has a molecular weight of 329.57 g/mol, XLogP of 5.46, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecoxy-2-methoxypropan-1-amine is sourced from PubChem (CID 14992264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).