1-pentoxyethanamine

C7H17NO — CID 57262541

IUPAC1-pentoxyethanamine
SMILESCCCCCOC(C)N
InChIInChI=1S/C7H17NO/c1-3-4-5-6-9-7(2)8/h7H,3-6,8H2,1-2H3
InChIKeyIYEXMAOAPCPYBN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds5

About 1-pentoxyethanamine

1-pentoxyethanamine (PubChem CID 57262541) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-pentoxyethanamine.

Molecular Properties

Compound Name1-pentoxyethanamine
PubChem CID57262541
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-pentoxyethanamine
SMILESCCCCCOC(C)N
InChIInChI=1S/C7H17NO/c1-3-4-5-6-9-7(2)8/h7H,3-6,8H2,1-2H3
InChIKeyIYEXMAOAPCPYBN-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
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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Related Compounds

3-pentoxybutan-2-amine
CID 61352378
octoxymethanediamine
CID 142625053
2-octoxypentan-3-amine
CID 43127877
1-amino-1-octoxypropan-2-ol
CID 174604466
1-pentoxyethanethiol
CID 173039509
1-pentoxyethanol
CID 19598527
CID 136849236
CID 136849236
1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
CID 136849214
CID 136849214
1-(1-fluoroethoxy)tridecane
CID 175410550
1-heptacontoxyethanol
CID 169098461
1-(1-hexoxyethoxy)ethanol
CID 22559456

Frequently Asked Questions

What is the IUPAC name of 1-pentoxyethanamine?
The IUPAC name of 1-pentoxyethanamine (CID 57262541) is 1-pentoxyethanamine.
What is the SMILES notation for 1-pentoxyethanamine?
The canonical SMILES for 1-pentoxyethanamine is CCCCCOC(C)N.
What is the InChIKey of 1-pentoxyethanamine?
The InChIKey is IYEXMAOAPCPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-5-6-9-7(2)8/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-pentoxyethanamine?
1-pentoxyethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxyethanamine is sourced from PubChem (CID 57262541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).