1-hexoxyhexan-1-amine

C12H27NO — CID 22751774

IUPAC1-hexoxyhexan-1-amine
SMILESCCCCCCOC(N)CCCCC
InChIInChI=1S/C12H27NO/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3
InChIKeyKCNVLYZTQUENHP-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.45
Rot. Bonds10

About 1-hexoxyhexan-1-amine

1-hexoxyhexan-1-amine (PubChem CID 22751774) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-hexoxyhexan-1-amine.

Molecular Properties

Compound Name1-hexoxyhexan-1-amine
PubChem CID22751774
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-hexoxyhexan-1-amine
SMILESCCCCCCOC(N)CCCCC
InChIInChI=1S/C12H27NO/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3
InChIKeyKCNVLYZTQUENHP-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexoxyhexan-1-amine?
The IUPAC name of 1-hexoxyhexan-1-amine (CID 22751774) is 1-hexoxyhexan-1-amine.
What is the SMILES notation for 1-hexoxyhexan-1-amine?
The canonical SMILES for 1-hexoxyhexan-1-amine is CCCCCCOC(N)CCCCC.
What is the InChIKey of 1-hexoxyhexan-1-amine?
The InChIKey is KCNVLYZTQUENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 1-hexoxyhexan-1-amine?
1-hexoxyhexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxyhexan-1-amine is sourced from PubChem (CID 22751774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).