N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine

C9H18N2 — CID 146199675

IUPACN-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
SMILESC=C(/C=N/CC)CCNCC
InChIInChI=1S/C9H18N2/c1-4-10-7-6-9(3)8-11-5-2/h8,10H,3-7H2,1-2H3/b11-8+
InChIKeyDJUHLRITDKDALY-DHZHZOJOSA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine

N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine (PubChem CID 146199675) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
PubChem CID146199675
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
SMILESC=C(/C=N/CC)CCNCC
InChIInChI=1S/C9H18N2/c1-4-10-7-6-9(3)8-11-5-2/h8,10H,3-7H2,1-2H3/b11-8+
InChIKeyDJUHLRITDKDALY-DHZHZOJOSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine (CID 146199675) is N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine is C=C(/C=N/CC)CCNCC.
What is the InChIKey of N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine?
The InChIKey is DJUHLRITDKDALY-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-7-6-9(3)8-11-5-2/h8,10H,3-7H2,1-2H3/b11-8+.
What are the key properties of N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine?
N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine is sourced from PubChem (CID 146199675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).