4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine

C11H23NO2 — CID 53230731

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-4-12-8-6-5-7-10-9-13-11(2,3)14-10/h10,12H,4-9H2,1-3H3
InChIKeyLLZMIGFITLOYEC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds6

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine (PubChem CID 53230731) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
PubChem CID53230731
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-4-12-8-6-5-7-10-9-13-11(2,3)14-10/h10,12H,4-9H2,1-3H3
InChIKeyLLZMIGFITLOYEC-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
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-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
CID 46868038
CID 59269279
CID 59269279

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine (CID 53230731) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine is CCNCCCCC1COC(C)(C)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine?
The InChIKey is LLZMIGFITLOYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-12-8-6-5-7-10-9-13-11(2,3)14-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 53230731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).