1-amino-3-heptoxypropan-2-ol

C10H23NO2 — CID 43128013

IUPAC1-amino-3-heptoxypropan-2-ol
SMILESCCCCCCCOCC(O)CN
InChIInChI=1S/C10H23NO2/c1-2-3-4-5-6-7-13-9-10(12)8-11/h10,12H,2-9,11H2,1H3
InChIKeyAMUDLUYUWVZHAL-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.29
Rot. Bonds9

About 1-amino-3-heptoxypropan-2-ol

1-amino-3-heptoxypropan-2-ol (PubChem CID 43128013) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-amino-3-heptoxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-heptoxypropan-2-ol
PubChem CID43128013
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-amino-3-heptoxypropan-2-ol
SMILESCCCCCCCOCC(O)CN
InChIInChI=1S/C10H23NO2/c1-2-3-4-5-6-7-13-9-10(12)8-11/h10,12H,2-9,11H2,1H3
InChIKeyAMUDLUYUWVZHAL-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.29
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

(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-icosoxybutan-2-ol
CID 58176389
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-octoxydecan-2-ol
CID 57119039
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
1-octadecoxyicosan-2-ol
CID 88758338
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1,4-dioctoxybutan-2-ol
CID 91047029
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-heptoxypropan-2-ol?
The IUPAC name of 1-amino-3-heptoxypropan-2-ol (CID 43128013) is 1-amino-3-heptoxypropan-2-ol.
What is the SMILES notation for 1-amino-3-heptoxypropan-2-ol?
The canonical SMILES for 1-amino-3-heptoxypropan-2-ol is CCCCCCCOCC(O)CN.
What is the InChIKey of 1-amino-3-heptoxypropan-2-ol?
The InChIKey is AMUDLUYUWVZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-2-3-4-5-6-7-13-9-10(12)8-11/h10,12H,2-9,11H2,1H3.
What are the key properties of 1-amino-3-heptoxypropan-2-ol?
1-amino-3-heptoxypropan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-heptoxypropan-2-ol is sourced from PubChem (CID 43128013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).