3-(4-ethoxybutoxy)propan-1-amine

C9H21NO2 — CID 87914179

IUPAC3-(4-ethoxybutoxy)propan-1-amine
SMILESCCOCCCCOCCCN
InChIInChI=1S/C9H21NO2/c1-2-11-7-3-4-8-12-9-5-6-10/h2-10H2,1H3
InChIKeyXXHFGALVSKQMSU-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds9

About 3-(4-ethoxybutoxy)propan-1-amine

3-(4-ethoxybutoxy)propan-1-amine (PubChem CID 87914179) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(4-ethoxybutoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxybutoxy)propan-1-amine
PubChem CID87914179
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(4-ethoxybutoxy)propan-1-amine
SMILESCCOCCCCOCCCN
InChIInChI=1S/C9H21NO2/c1-2-11-7-3-4-8-12-9-5-6-10/h2-10H2,1H3
InChIKeyXXHFGALVSKQMSU-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxybutan-1-amine;hydrochloride
CID 87771260
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-ethoxybutoxymethanamine
CID 87914089
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
4-nonoxybutan-1-amine
CID 139664551
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybutoxy)propan-1-amine?
The IUPAC name of 3-(4-ethoxybutoxy)propan-1-amine (CID 87914179) is 3-(4-ethoxybutoxy)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxybutoxy)propan-1-amine?
The canonical SMILES for 3-(4-ethoxybutoxy)propan-1-amine is CCOCCCCOCCCN.
What is the InChIKey of 3-(4-ethoxybutoxy)propan-1-amine?
The InChIKey is XXHFGALVSKQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-2-11-7-3-4-8-12-9-5-6-10/h2-10H2,1H3.
What are the key properties of 3-(4-ethoxybutoxy)propan-1-amine?
3-(4-ethoxybutoxy)propan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybutoxy)propan-1-amine is sourced from PubChem (CID 87914179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).