5-ethoxypentan-1-amine

C7H17NO — CID 19708207

IUPAC5-ethoxypentan-1-amine
SMILESCCOCCCCCN
InChIInChI=1S/C7H17NO/c1-2-9-7-5-3-4-6-8/h2-8H2,1H3
InChIKeyUGIPXLUABAGJDS-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds6

About 5-ethoxypentan-1-amine

5-ethoxypentan-1-amine (PubChem CID 19708207) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 5-ethoxypentan-1-amine.

Molecular Properties

Compound Name5-ethoxypentan-1-amine
PubChem CID19708207
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name5-ethoxypentan-1-amine
SMILESCCOCCCCCN
InChIInChI=1S/C7H17NO/c1-2-9-7-5-3-4-6-8/h2-8H2,1H3
InChIKeyUGIPXLUABAGJDS-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
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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Related Compounds

5-Methoxypentan-1-amine
CID 10057484
5,5'-Oxybis(pentylamine)
CID 409128
5-(5-Fluoropentoxy)pentan-1-amine
CID 54456564
5-(2-Fluoroethoxy)pentan-1-amine
CID 84006716
3-Fluoro-5-methoxypentan-1-amine
CID 165846940
5-[(2-Methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
CID 170917368
5-(5-Aminopentoxy)pentan-1-amine;hydrochloride
CID 24182641
2-Pentoxyethanamine
CID 13778203
5-Ethoxyhexan-1-amine
CID 14874870
4-Pentoxybutan-1-amine
CID 18672781
3-Pentoxypropan-1-amine
CID 18672793
6,12-Dioxaheptadecylamine
CID 18999990

Frequently Asked Questions

What is the IUPAC name of 5-ethoxypentan-1-amine?
The IUPAC name of 5-ethoxypentan-1-amine (CID 19708207) is 5-ethoxypentan-1-amine.
What is the SMILES notation for 5-ethoxypentan-1-amine?
The canonical SMILES for 5-ethoxypentan-1-amine is CCOCCCCCN.
What is the InChIKey of 5-ethoxypentan-1-amine?
The InChIKey is UGIPXLUABAGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-2-9-7-5-3-4-6-8/h2-8H2,1H3.
What are the key properties of 5-ethoxypentan-1-amine?
5-ethoxypentan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypentan-1-amine is sourced from PubChem (CID 19708207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).