1-(tert-butylamino)-3-hexadecoxypropan-2-ol

C23H49NO2 — CID 3067046

IUPAC1-(tert-butylamino)-3-hexadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-22(25)20-24-23(2,3)4/h22,24-25H,5-21H2,1-4H3
InChIKeyKORGLZZAMBFEJH-UHFFFAOYSA-N
MW371.65 g/mol
LogP6.23
Rot. Bonds19

About 1-(tert-butylamino)-3-hexadecoxypropan-2-ol

1-(tert-butylamino)-3-hexadecoxypropan-2-ol (PubChem CID 3067046) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-hexadecoxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-hexadecoxypropan-2-ol
PubChem CID3067046
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC Name1-(tert-butylamino)-3-hexadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)CNC(C)(C)C
InChIInChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-22(25)20-24-23(2,3)4/h22,24-25H,5-21H2,1-4H3
InChIKeyKORGLZZAMBFEJH-UHFFFAOYSA-N
XLogP6.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993473
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(tert-butylamino)octan-2-ol
CID 62774713
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-hexadecoxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-hexadecoxypropan-2-ol (CID 3067046) is 1-(tert-butylamino)-3-hexadecoxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-hexadecoxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-hexadecoxypropan-2-ol is CCCCCCCCCCCCCCCCOCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-hexadecoxypropan-2-ol?
The InChIKey is KORGLZZAMBFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-22(25)20-24-23(2,3)4/h22,24-25H,5-21H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-hexadecoxypropan-2-ol?
1-(tert-butylamino)-3-hexadecoxypropan-2-ol has a molecular weight of 371.65 g/mol, XLogP of 6.23, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-hexadecoxypropan-2-ol is sourced from PubChem (CID 3067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).