5-amino-5-ethylheptan-1-ol

C9H21NO — CID 123315447

IUPAC5-amino-5-ethylheptan-1-ol
SMILESCCC(N)(CC)CCCCO
InChIInChI=1S/C9H21NO/c1-3-9(10,4-2)7-5-6-8-11/h11H,3-8,10H2,1-2H3
InChIKeyFONLORCUWNRVOV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.67
Rot. Bonds6

About 5-amino-5-ethylheptan-1-ol

5-amino-5-ethylheptan-1-ol (PubChem CID 123315447) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-amino-5-ethylheptan-1-ol.

Molecular Properties

Compound Name5-amino-5-ethylheptan-1-ol
PubChem CID123315447
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-amino-5-ethylheptan-1-ol
SMILESCCC(N)(CC)CCCCO
InChIInChI=1S/C9H21NO/c1-3-9(10,4-2)7-5-6-8-11/h11H,3-8,10H2,1-2H3
InChIKeyFONLORCUWNRVOV-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-ethylheptan-1-ol?
The IUPAC name of 5-amino-5-ethylheptan-1-ol (CID 123315447) is 5-amino-5-ethylheptan-1-ol.
What is the SMILES notation for 5-amino-5-ethylheptan-1-ol?
The canonical SMILES for 5-amino-5-ethylheptan-1-ol is CCC(N)(CC)CCCCO.
What is the InChIKey of 5-amino-5-ethylheptan-1-ol?
The InChIKey is FONLORCUWNRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-9(10,4-2)7-5-6-8-11/h11H,3-8,10H2,1-2H3.
What are the key properties of 5-amino-5-ethylheptan-1-ol?
5-amino-5-ethylheptan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-ethylheptan-1-ol is sourced from PubChem (CID 123315447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).