1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol

C16H35NO3 — CID 64603424

IUPAC1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC(C)CCOC
InChIInChI=1S/C16H35NO3/c1-4-5-6-7-8-9-11-20-14-16(18)13-17-15(2)10-12-19-3/h15-18H,4-14H2,1-3H3
InChIKeyJKOBNMBBCNSNJE-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.74
Rot. Bonds15

About 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol

1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol (PubChem CID 64603424) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
PubChem CID64603424
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC(C)CCOC
InChIInChI=1S/C16H35NO3/c1-4-5-6-7-8-9-11-20-14-16(18)13-17-15(2)10-12-19-3/h15-18H,4-14H2,1-3H3
InChIKeyJKOBNMBBCNSNJE-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol?
The IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol (CID 64603424) is 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol.
What is the SMILES notation for 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol?
The canonical SMILES for 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNC(C)CCOC.
What is the InChIKey of 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol?
The InChIKey is JKOBNMBBCNSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-4-5-6-7-8-9-11-20-14-16(18)13-17-15(2)10-12-19-3/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol?
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.74, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol is sourced from PubChem (CID 64603424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).