2-methyl-1,3-dioctoxypropan-2-amine

C20H43NO2 — CID 142136398

IUPAC2-methyl-1,3-dioctoxypropan-2-amine
SMILESCCCCCCCCOCC(C)(N)COCCCCCCCC
InChIInChI=1S/C20H43NO2/c1-4-6-8-10-12-14-16-22-18-20(3,21)19-23-17-15-13-11-9-7-5-2/h4-19,21H2,1-3H3
InChIKeyPISXKSYCDVTWSP-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.46
Rot. Bonds18

About 2-methyl-1,3-dioctoxypropan-2-amine

2-methyl-1,3-dioctoxypropan-2-amine (PubChem CID 142136398) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-methyl-1,3-dioctoxypropan-2-amine.

Molecular Properties

Compound Name2-methyl-1,3-dioctoxypropan-2-amine
PubChem CID142136398
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-methyl-1,3-dioctoxypropan-2-amine
SMILESCCCCCCCCOCC(C)(N)COCCCCCCCC
InChIInChI=1S/C20H43NO2/c1-4-6-8-10-12-14-16-22-18-20(3,21)19-23-17-15-13-11-9-7-5-2/h4-19,21H2,1-3H3
InChIKeyPISXKSYCDVTWSP-UHFFFAOYSA-N
XLogP5.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
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

2-amino-2-methyl-3-octoxypropan-1-ol
CID 64811655
2-methyl-1-nonoxypropan-2-amine
CID 64536580
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioctoxypropan-2-amine?
The IUPAC name of 2-methyl-1,3-dioctoxypropan-2-amine (CID 142136398) is 2-methyl-1,3-dioctoxypropan-2-amine.
What is the SMILES notation for 2-methyl-1,3-dioctoxypropan-2-amine?
The canonical SMILES for 2-methyl-1,3-dioctoxypropan-2-amine is CCCCCCCCOCC(C)(N)COCCCCCCCC.
What is the InChIKey of 2-methyl-1,3-dioctoxypropan-2-amine?
The InChIKey is PISXKSYCDVTWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-4-6-8-10-12-14-16-22-18-20(3,21)19-23-17-15-13-11-9-7-5-2/h4-19,21H2,1-3H3.
What are the key properties of 2-methyl-1,3-dioctoxypropan-2-amine?
2-methyl-1,3-dioctoxypropan-2-amine has a molecular weight of 329.57 g/mol, XLogP of 5.46, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioctoxypropan-2-amine is sourced from PubChem (CID 142136398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).