4-(4-propoxybutoxy)butan-1-amine

C11H25NO2 — CID 87914116

IUPAC4-(4-propoxybutoxy)butan-1-amine
SMILESCCCOCCCCOCCCCN
InChIInChI=1S/C11H25NO2/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2-12H2,1H3
InChIKeyVPZSEFOMHDLSCR-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds11

About 4-(4-propoxybutoxy)butan-1-amine

4-(4-propoxybutoxy)butan-1-amine (PubChem CID 87914116) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(4-propoxybutoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-propoxybutoxy)butan-1-amine
PubChem CID87914116
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-(4-propoxybutoxy)butan-1-amine
SMILESCCCOCCCCOCCCCN
InChIInChI=1S/C11H25NO2/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2-12H2,1H3
InChIKeyVPZSEFOMHDLSCR-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
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-nonoxybutan-1-amine
CID 139664551
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-(propoxymethoxy)propan-1-amine
CID 87914264
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
1-ethoxypropane;pentan-1-amine
CID 174936602
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
4-ethoxybutan-1-amine;hydrochloride
CID 87771260

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxybutoxy)butan-1-amine?
The IUPAC name of 4-(4-propoxybutoxy)butan-1-amine (CID 87914116) is 4-(4-propoxybutoxy)butan-1-amine.
What is the SMILES notation for 4-(4-propoxybutoxy)butan-1-amine?
The canonical SMILES for 4-(4-propoxybutoxy)butan-1-amine is CCCOCCCCOCCCCN.
What is the InChIKey of 4-(4-propoxybutoxy)butan-1-amine?
The InChIKey is VPZSEFOMHDLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2-12H2,1H3.
What are the key properties of 4-(4-propoxybutoxy)butan-1-amine?
4-(4-propoxybutoxy)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxybutoxy)butan-1-amine is sourced from PubChem (CID 87914116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).