1-[ethyl(hydroxy)amino]heptan-1-ol

C9H21NO2 — CID 174750340

IUPAC1-[ethyl(hydroxy)amino]heptan-1-ol
SMILESCCCCCCC(O)N(O)CC
InChIInChI=1S/C9H21NO2/c1-3-5-6-7-8-9(11)10(12)4-2/h9,11-12H,3-8H2,1-2H3
InChIKeyPPXLQVHPAUJEEV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.99
Rot. Bonds7

About 1-[ethyl(hydroxy)amino]heptan-1-ol

1-[ethyl(hydroxy)amino]heptan-1-ol (PubChem CID 174750340) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[ethyl(hydroxy)amino]heptan-1-ol.

Molecular Properties

Compound Name1-[ethyl(hydroxy)amino]heptan-1-ol
PubChem CID174750340
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[ethyl(hydroxy)amino]heptan-1-ol
SMILESCCCCCCC(O)N(O)CC
InChIInChI=1S/C9H21NO2/c1-3-5-6-7-8-9(11)10(12)4-2/h9,11-12H,3-8H2,1-2H3
InChIKeyPPXLQVHPAUJEEV-UHFFFAOYSA-N
XLogP1.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.99
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[bis(1-hydroxyheptyl)amino]-(1-hydroxyoctyl)amino]octan-1-ol
CID 87743534
1-(dimethylamino)pentadecan-1-ol
CID 87151804
1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(hydroxy)amino]heptan-1-ol?
The IUPAC name of 1-[ethyl(hydroxy)amino]heptan-1-ol (CID 174750340) is 1-[ethyl(hydroxy)amino]heptan-1-ol.
What is the SMILES notation for 1-[ethyl(hydroxy)amino]heptan-1-ol?
The canonical SMILES for 1-[ethyl(hydroxy)amino]heptan-1-ol is CCCCCCC(O)N(O)CC.
What is the InChIKey of 1-[ethyl(hydroxy)amino]heptan-1-ol?
The InChIKey is PPXLQVHPAUJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-5-6-7-8-9(11)10(12)4-2/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[ethyl(hydroxy)amino]heptan-1-ol?
1-[ethyl(hydroxy)amino]heptan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(hydroxy)amino]heptan-1-ol is sourced from PubChem (CID 174750340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).