4-ethoxy-N-propylpentan-1-amine

C10H23NO — CID 62446191

IUPAC4-ethoxy-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC
InChIInChI=1S/C10H23NO/c1-4-8-11-9-6-7-10(3)12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyPZQUWARFNYEZQX-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds8

About 4-ethoxy-N-propylpentan-1-amine

4-ethoxy-N-propylpentan-1-amine (PubChem CID 62446191) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-ethoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-propylpentan-1-amine
PubChem CID62446191
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-ethoxy-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC
InChIInChI=1S/C10H23NO/c1-4-8-11-9-6-7-10(3)12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyPZQUWARFNYEZQX-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 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 ≤ 52.19
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

4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
4-pent-4-enoxy-N-propylpentan-1-amine
CID 79114922
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
4-(1-ethoxypropan-2-yloxy)-N-propylpentan-1-amine
CID 103490666
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
2-ethoxytridecane
CID 54143367
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
4-methoxy-N-pentylpentan-1-amine
CID 70456658
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine
CID 65469240

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propylpentan-1-amine?
The IUPAC name of 4-ethoxy-N-propylpentan-1-amine (CID 62446191) is 4-ethoxy-N-propylpentan-1-amine.
What is the SMILES notation for 4-ethoxy-N-propylpentan-1-amine?
The canonical SMILES for 4-ethoxy-N-propylpentan-1-amine is CCCNCCCC(C)OCC.
What is the InChIKey of 4-ethoxy-N-propylpentan-1-amine?
The InChIKey is PZQUWARFNYEZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-8-11-9-6-7-10(3)12-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-ethoxy-N-propylpentan-1-amine?
4-ethoxy-N-propylpentan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propylpentan-1-amine is sourced from PubChem (CID 62446191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).