4-nonoxybutan-1-amine

C13H29NO — CID 139664551

IUPAC4-nonoxybutan-1-amine
SMILESCCCCCCCCCOCCCCN
InChIInChI=1S/C13H29NO/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14/h2-14H2,1H3
InChIKeyJHWPOFZIYSGKHI-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.49
Rot. Bonds12

About 4-nonoxybutan-1-amine

4-nonoxybutan-1-amine (PubChem CID 139664551) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-nonoxybutan-1-amine.

Molecular Properties

Compound Name4-nonoxybutan-1-amine
PubChem CID139664551
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-nonoxybutan-1-amine
SMILESCCCCCCCCCOCCCCN
InChIInChI=1S/C13H29NO/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14/h2-14H2,1H3
InChIKeyJHWPOFZIYSGKHI-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.49
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

3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
4-(4-decoxyperoxybutoxy)butan-1-amine
CID 87469347
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-[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-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 4-nonoxybutan-1-amine?
The IUPAC name of 4-nonoxybutan-1-amine (CID 139664551) is 4-nonoxybutan-1-amine.
What is the SMILES notation for 4-nonoxybutan-1-amine?
The canonical SMILES for 4-nonoxybutan-1-amine is CCCCCCCCCOCCCCN.
What is the InChIKey of 4-nonoxybutan-1-amine?
The InChIKey is JHWPOFZIYSGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14/h2-14H2,1H3.
What are the key properties of 4-nonoxybutan-1-amine?
4-nonoxybutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonoxybutan-1-amine is sourced from PubChem (CID 139664551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).