1-octoxy-1-(propan-2-ylamino)propan-2-ol

C14H31NO2 — CID 146571435

IUPAC1-octoxy-1-(propan-2-ylamino)propan-2-ol
SMILESCCCCCCCCOC(NC(C)C)C(C)O
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-14(13(4)16)15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeySRQKTGJLDHLQOL-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.07
Rot. Bonds11

About 1-octoxy-1-(propan-2-ylamino)propan-2-ol

1-octoxy-1-(propan-2-ylamino)propan-2-ol (PubChem CID 146571435) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-octoxy-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-octoxy-1-(propan-2-ylamino)propan-2-ol
PubChem CID146571435
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-octoxy-1-(propan-2-ylamino)propan-2-ol
SMILESCCCCCCCCOC(NC(C)C)C(C)O
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-14(13(4)16)15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeySRQKTGJLDHLQOL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 54496266
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CID 169098461
1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
1-pentoxyethanol
CID 19598527
1-octoxy-1-piperidin-1-ylpropan-2-ol
CID 22215371
1-(1-hexoxyethoxy)ethanol
CID 22559456
1-(dimethylamino)-1-octadecoxypropan-2-ol
CID 87463227
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
didodecoxymethylsilane
CID 172799979

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-octoxy-1-(propan-2-ylamino)propan-2-ol (CID 146571435) is 1-octoxy-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-octoxy-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-octoxy-1-(propan-2-ylamino)propan-2-ol is CCCCCCCCOC(NC(C)C)C(C)O.
What is the InChIKey of 1-octoxy-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is SRQKTGJLDHLQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-14(13(4)16)15-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-octoxy-1-(propan-2-ylamino)propan-2-ol?
1-octoxy-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 146571435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).