N-hexoxypentan-1-amine

C11H25NO — CID 88654241

IUPACN-hexoxypentan-1-amine
SMILESCCCCCCONCCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-9-11-13-12-10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyBPUZRZWKRAATGN-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.28
Rot. Bonds10

About N-hexoxypentan-1-amine

N-hexoxypentan-1-amine (PubChem CID 88654241) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-hexoxypentan-1-amine.

Molecular Properties

Compound NameN-hexoxypentan-1-amine
PubChem CID88654241
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-hexoxypentan-1-amine
SMILESCCCCCCONCCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-9-11-13-12-10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyBPUZRZWKRAATGN-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexoxypentan-1-amine?
The IUPAC name of N-hexoxypentan-1-amine (CID 88654241) is N-hexoxypentan-1-amine.
What is the SMILES notation for N-hexoxypentan-1-amine?
The canonical SMILES for N-hexoxypentan-1-amine is CCCCCCONCCCCC.
What is the InChIKey of N-hexoxypentan-1-amine?
The InChIKey is BPUZRZWKRAATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-9-11-13-12-10-8-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of N-hexoxypentan-1-amine?
N-hexoxypentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexoxypentan-1-amine is sourced from PubChem (CID 88654241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).