N-(2-but-1-enoxyethyl)but-1-en-1-amine

C10H19NO — CID 121299820

IUPACN-(2-but-1-enoxyethyl)but-1-en-1-amine
SMILESCCC=CNCCOC=CCC
InChIInChI=1S/C10H19NO/c1-3-5-7-11-8-10-12-9-6-4-2/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyDJJJANHRHKZLFT-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds7

About N-(2-but-1-enoxyethyl)but-1-en-1-amine

N-(2-but-1-enoxyethyl)but-1-en-1-amine (PubChem CID 121299820) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-but-1-enoxyethyl)but-1-en-1-amine.

Molecular Properties

Compound NameN-(2-but-1-enoxyethyl)but-1-en-1-amine
PubChem CID121299820
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2-but-1-enoxyethyl)but-1-en-1-amine
SMILESCCC=CNCCOC=CCC
InChIInChI=1S/C10H19NO/c1-3-5-7-11-8-10-12-9-6-4-2/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyDJJJANHRHKZLFT-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-1-enoxyethyl)but-1-en-1-amine?
The IUPAC name of N-(2-but-1-enoxyethyl)but-1-en-1-amine (CID 121299820) is N-(2-but-1-enoxyethyl)but-1-en-1-amine.
What is the SMILES notation for N-(2-but-1-enoxyethyl)but-1-en-1-amine?
The canonical SMILES for N-(2-but-1-enoxyethyl)but-1-en-1-amine is CCC=CNCCOC=CCC.
What is the InChIKey of N-(2-but-1-enoxyethyl)but-1-en-1-amine?
The InChIKey is DJJJANHRHKZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-7-11-8-10-12-9-6-4-2/h5-7,9,11H,3-4,8,10H2,1-2H3.
What are the key properties of N-(2-but-1-enoxyethyl)but-1-en-1-amine?
N-(2-but-1-enoxyethyl)but-1-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-1-enoxyethyl)but-1-en-1-amine is sourced from PubChem (CID 121299820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).