1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol

C14H31NO2 — CID 43166238

IUPAC1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCCCC(C)OCC(O)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-13(4)17-11-14(16)10-15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyJCKIRNNGGCZHJD-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.72
Rot. Bonds11

About 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol

1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166238) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166238
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCCCC(C)OCC(O)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-13(4)17-11-14(16)10-15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyJCKIRNNGGCZHJD-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.72
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

1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-octan-2-yloxypropan-2-amine
CID 43127432
octan-2-yloxymethanol
CID 57306212
2-ethoxytridecane
CID 54143367
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
CID 103074508
1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
CID 57282042
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106

Frequently Asked Questions

What is the IUPAC name of 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol (CID 43166238) is 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol is CCCCCCC(C)OCC(O)CNC(C)C.
What is the InChIKey of 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is JCKIRNNGGCZHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-7-8-9-13(4)17-11-14(16)10-15-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol?
1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).