2-(hexadecoxymethyl)-3-methoxypropan-1-amine

C21H45NO2 — CID 14835009

IUPAC2-(hexadecoxymethyl)-3-methoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOCC(CN)COC
InChIInChI=1S/C21H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20-21(18-22)19-23-2/h21H,3-20,22H2,1-2H3
InChIKeyYXSSZCZDWGZBSZ-UHFFFAOYSA-N
MW343.60 g/mol
LogP5.71
Rot. Bonds20

About 2-(hexadecoxymethyl)-3-methoxypropan-1-amine

2-(hexadecoxymethyl)-3-methoxypropan-1-amine (PubChem CID 14835009) has the molecular formula C21H45NO2 and a molecular weight of 343.60 g/mol. Its IUPAC name is 2-(hexadecoxymethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(hexadecoxymethyl)-3-methoxypropan-1-amine
PubChem CID14835009
Molecular FormulaC21H45NO2
Molecular Weight343.60 g/mol
Exact Mass343.35
IUPAC Name2-(hexadecoxymethyl)-3-methoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOCC(CN)COC
InChIInChI=1S/C21H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20-21(18-22)19-23-2/h21H,3-20,22H2,1-2H3
InChIKeyYXSSZCZDWGZBSZ-UHFFFAOYSA-N
XLogP5.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hexadecoxymethyl)-3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
1-(2-ethylbutoxy)decane
CID 22002893
9-(tetradecoxymethyl)nonadecane
CID 142746550
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
1-amino-3-heptoxypropan-2-ol
CID 43128013
2-hexadecoxy-3-tetradecoxypropan-1-amine
CID 11827343
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
2-(decoxymethyl)propane-1,3-diol
CID 138675067
2-(butoxymethyl)pentane-1,5-diamine
CID 14177998

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecoxymethyl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(hexadecoxymethyl)-3-methoxypropan-1-amine (CID 14835009) is 2-(hexadecoxymethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(hexadecoxymethyl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(hexadecoxymethyl)-3-methoxypropan-1-amine is CCCCCCCCCCCCCCCCOCC(CN)COC.
What is the InChIKey of 2-(hexadecoxymethyl)-3-methoxypropan-1-amine?
The InChIKey is YXSSZCZDWGZBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20-21(18-22)19-23-2/h21H,3-20,22H2,1-2H3.
What are the key properties of 2-(hexadecoxymethyl)-3-methoxypropan-1-amine?
2-(hexadecoxymethyl)-3-methoxypropan-1-amine has a molecular weight of 343.60 g/mol, XLogP of 5.71, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecoxymethyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 14835009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).