4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine

C9H19NO2 — CID 59602998

IUPAC4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCCC1(CCCCN)OCCO1
InChIInChI=1S/C9H19NO2/c1-2-9(5-3-4-6-10)11-7-8-12-9/h2-8,10H2,1H3
InChIKeyASPQRMZFMDAOTB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine

4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine (PubChem CID 59602998) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine
PubChem CID59602998
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCCC1(CCCCN)OCCO1
InChIInChI=1S/C9H19NO2/c1-2-9(5-3-4-6-10)11-7-8-12-9/h2-8,10H2,1H3
InChIKeyASPQRMZFMDAOTB-UHFFFAOYSA-N
XLogP1.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.27
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-(2-Methyl-1,3-dioxolan-2-yl)butan-1-amine
CID 15580818
4-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]butan-1-amine
CID 126578081
6-(2-Methyl-1,3-dioxolan-2-yl)hexan-2-amine
CID 101504448
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-fluoropropan-1-amine
CID 165708463
4,4'-(1,3-Dioxolane-2,2-diyl)dibutan-1-amine
CID 289746
6-(2-Methyl-1,3-dioxolan-2-yl)hexan-1-amine
CID 13093872
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propan-1-amine
CID 13416686
2-(2-Propyl-1,3-dioxolan-2-yl)ethanamine
CID 14636093
Methyl[3-(2-propyl-1,3-dioxolan-2-yl)propyl]amine
CID 20598490
4-(2-Methyl-1,3-dioxolan-2-yl)butan-2-amine
CID 24774298
4-(1,4-Dioxaspiro[4.4]nonan-3-yl)butan-1-amine
CID 58527524
7-(2-Methyl-1,3-dioxolan-2-yl)heptan-1-amine
CID 59602971

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine?
The IUPAC name of 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine (CID 59602998) is 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine?
The canonical SMILES for 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine is CCC1(CCCCN)OCCO1.
What is the InChIKey of 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine?
The InChIKey is ASPQRMZFMDAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-9(5-3-4-6-10)11-7-8-12-9/h2-8,10H2,1H3.
What are the key properties of 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine?
4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-dioxolan-2-yl)butan-1-amine is sourced from PubChem (CID 59602998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).