3-[4-(2-butoxyethoxy)butoxy]propan-1-amine

C13H29NO3 — CID 118457159

IUPAC3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
SMILESCCCCOCCOCCCCOCCCN
InChIInChI=1S/C13H29NO3/c1-2-3-8-16-12-13-17-10-5-4-9-15-11-6-7-14/h2-14H2,1H3
InChIKeyRSNWULZJFABOPS-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.97
Rot. Bonds14

About 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine

3-[4-(2-butoxyethoxy)butoxy]propan-1-amine (PubChem CID 118457159) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
PubChem CID118457159
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
SMILESCCCCOCCOCCCCOCCCN
InChIInChI=1S/C13H29NO3/c1-2-3-8-16-12-13-17-10-5-4-9-15-11-6-7-14/h2-14H2,1H3
InChIKeyRSNWULZJFABOPS-UHFFFAOYSA-N
XLogP1.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
4-nonoxybutan-1-amine
CID 139664551
1,10-bis(2-butoxyethoxy)decane
CID 90257337
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine?
The IUPAC name of 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine (CID 118457159) is 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine.
What is the SMILES notation for 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine?
The canonical SMILES for 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine is CCCCOCCOCCCCOCCCN.
What is the InChIKey of 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine?
The InChIKey is RSNWULZJFABOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-2-3-8-16-12-13-17-10-5-4-9-15-11-6-7-14/h2-14H2,1H3.
What are the key properties of 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine?
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.97, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-butoxyethoxy)butoxy]propan-1-amine is sourced from PubChem (CID 118457159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).