(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine

C8H16ClN — CID 107897666

IUPAC(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine
SMILESC/C=C/CN(CC)CCCl
InChIInChI=1S/C8H16ClN/c1-3-5-7-10(4-2)8-6-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyJENPOTCSBBVMOO-HWKANZROSA-N
MW161.68 g/mol
LogP2.12
Rot. Bonds5

About (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine

(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine (PubChem CID 107897666) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine
PubChem CID107897666
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine
SMILESC/C=C/CN(CC)CCCl
InChIInChI=1S/C8H16ClN/c1-3-5-7-10(4-2)8-6-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyJENPOTCSBBVMOO-HWKANZROSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107897841
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
(E)-N-(2-chloroethyl)-N-propan-2-ylbut-2-en-1-amine
CID 107897671
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905
2-chloro-N,N-diethylethanamine;methylsulfinylmethane
CID 159764523
N-but-2-enyl-N-dodecyldodecan-1-amine;hydrobromide
CID 173009640
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
CID 61289336
lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
CID 174719657
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine?
The IUPAC name of (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine (CID 107897666) is (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine?
The canonical SMILES for (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine is C/C=C/CN(CC)CCCl.
What is the InChIKey of (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine?
The InChIKey is JENPOTCSBBVMOO-HWKANZROSA-N. The full InChI is InChI=1S/C8H16ClN/c1-3-5-7-10(4-2)8-6-9/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine?
(E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloroethyl)-N-ethylbut-2-en-1-amine is sourced from PubChem (CID 107897666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).