N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine

C12H25NO3 — CID 106401321

IUPACN-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
SMILESC=CCCOCCNCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-9-14-10-8-13-11-12(15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyUWCGYSCSMIYLKG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.57
Rot. Bonds12

About N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine

N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine (PubChem CID 106401321) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
PubChem CID106401321
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
SMILESC=CCCOCCNCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-9-14-10-8-13-11-12(15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyUWCGYSCSMIYLKG-UHFFFAOYSA-N
XLogP1.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
4-ethoxybut-1-ene
CID 533994
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
2-(2-but-3-enoxyethylamino)-1-(3,4-difluorophenyl)ethanol
CID 106401574

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine (CID 106401321) is N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine is C=CCCOCCNCC(OCC)OCC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine?
The InChIKey is UWCGYSCSMIYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-7-9-14-10-8-13-11-12(15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine?
N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine has a molecular weight of 231.34 g/mol, XLogP of 1.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine is sourced from PubChem (CID 106401321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).