3-butoxyhexan-1-amine

C10H23NO — CID 88548134

IUPAC3-butoxyhexan-1-amine
SMILESCCCCOC(CCC)CCN
InChIInChI=1S/C10H23NO/c1-3-5-9-12-10(6-4-2)7-8-11/h10H,3-9,11H2,1-2H3
InChIKeyYEFGAMVGELKOBO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds8

About 3-butoxyhexan-1-amine

3-butoxyhexan-1-amine (PubChem CID 88548134) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-butoxyhexan-1-amine.

Molecular Properties

Compound Name3-butoxyhexan-1-amine
PubChem CID88548134
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-butoxyhexan-1-amine
SMILESCCCCOC(CCC)CCN
InChIInChI=1S/C10H23NO/c1-3-5-9-12-10(6-4-2)7-8-11/h10H,3-9,11H2,1-2H3
InChIKeyYEFGAMVGELKOBO-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 3-butoxyhexan-1-amine?
The IUPAC name of 3-butoxyhexan-1-amine (CID 88548134) is 3-butoxyhexan-1-amine.
What is the SMILES notation for 3-butoxyhexan-1-amine?
The canonical SMILES for 3-butoxyhexan-1-amine is CCCCOC(CCC)CCN.
What is the InChIKey of 3-butoxyhexan-1-amine?
The InChIKey is YEFGAMVGELKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-9-12-10(6-4-2)7-8-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 3-butoxyhexan-1-amine?
3-butoxyhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxyhexan-1-amine is sourced from PubChem (CID 88548134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).