1-(pentan-3-ylamino)ethanol

C7H17NO — CID 18004281

IUPAC1-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NC(C)O
InChIInChI=1S/C7H17NO/c1-4-7(5-2)8-6(3)9/h6-9H,4-5H2,1-3H3
InChIKeyODHIFEFLFMJUAD-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.10
Rot. Bonds4

About 1-(pentan-3-ylamino)ethanol

1-(pentan-3-ylamino)ethanol (PubChem CID 18004281) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-(pentan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(pentan-3-ylamino)ethanol
PubChem CID18004281
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NC(C)O
InChIInChI=1S/C7H17NO/c1-4-7(5-2)8-6(3)9/h6-9H,4-5H2,1-3H3
InChIKeyODHIFEFLFMJUAD-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(pentan-3-ylamino)ethanol?
The IUPAC name of 1-(pentan-3-ylamino)ethanol (CID 18004281) is 1-(pentan-3-ylamino)ethanol.
What is the SMILES notation for 1-(pentan-3-ylamino)ethanol?
The canonical SMILES for 1-(pentan-3-ylamino)ethanol is CCC(CC)NC(C)O.
What is the InChIKey of 1-(pentan-3-ylamino)ethanol?
The InChIKey is ODHIFEFLFMJUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(5-2)8-6(3)9/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(pentan-3-ylamino)ethanol?
1-(pentan-3-ylamino)ethanol has a molecular weight of 131.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-3-ylamino)ethanol is sourced from PubChem (CID 18004281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).