4-[4-(ethylamino)butoxy]butan-1-amine

C10H24N2O — CID 163399899

IUPAC4-[4-(ethylamino)butoxy]butan-1-amine
SMILESCCNCCCCOCCCCN
InChIInChI=1S/C10H24N2O/c1-2-12-8-4-6-10-13-9-5-3-7-11/h12H,2-11H2,1H3
InChIKeyQDUJSISRHWTRGK-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.13
Rot. Bonds10

About 4-[4-(ethylamino)butoxy]butan-1-amine

4-[4-(ethylamino)butoxy]butan-1-amine (PubChem CID 163399899) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-[4-(ethylamino)butoxy]butan-1-amine.

Molecular Properties

Compound Name4-[4-(ethylamino)butoxy]butan-1-amine
PubChem CID163399899
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-[4-(ethylamino)butoxy]butan-1-amine
SMILESCCNCCCCOCCCCN
InChIInChI=1S/C10H24N2O/c1-2-12-8-4-6-10-13-9-5-3-7-11/h12H,2-11H2,1H3
InChIKeyQDUJSISRHWTRGK-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
CID 175309381
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)butoxy]butan-1-amine?
The IUPAC name of 4-[4-(ethylamino)butoxy]butan-1-amine (CID 163399899) is 4-[4-(ethylamino)butoxy]butan-1-amine.
What is the SMILES notation for 4-[4-(ethylamino)butoxy]butan-1-amine?
The canonical SMILES for 4-[4-(ethylamino)butoxy]butan-1-amine is CCNCCCCOCCCCN.
What is the InChIKey of 4-[4-(ethylamino)butoxy]butan-1-amine?
The InChIKey is QDUJSISRHWTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-2-12-8-4-6-10-13-9-5-3-7-11/h12H,2-11H2,1H3.
What are the key properties of 4-[4-(ethylamino)butoxy]butan-1-amine?
4-[4-(ethylamino)butoxy]butan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)butoxy]butan-1-amine is sourced from PubChem (CID 163399899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).