(Z)-N-(2-ethoxyethyl)but-2-en-1-amine

C8H17NO — CID 143071709

IUPAC(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
SMILESC/C=C\CNCCOCC
InChIInChI=1S/C8H17NO/c1-3-5-6-9-7-8-10-4-2/h3,5,9H,4,6-8H2,1-2H3/b5-3-
InChIKeyNSUAYQFQVSEDCP-HYXAFXHYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About (Z)-N-(2-ethoxyethyl)but-2-en-1-amine

(Z)-N-(2-ethoxyethyl)but-2-en-1-amine (PubChem CID 143071709) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-N-(2-ethoxyethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
PubChem CID143071709
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
SMILESC/C=C\CNCCOCC
InChIInChI=1S/C8H17NO/c1-3-5-6-9-7-8-10-4-2/h3,5,9H,4,6-8H2,1-2H3/b5-3-
InChIKeyNSUAYQFQVSEDCP-HYXAFXHYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-2-enoxyethyl)propan-1-amine
CID 76940105
N-(3-methoxypropyl)but-2-en-1-amine
CID 141114673
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
2-ethoxy-N-(iodomethyl)ethanamine
CID 118400256
(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
CID 89426225
CID 89426225
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
N-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
(E)-N-[2-(methyldisulfanyl)ethyl]but-2-en-1-amine
CID 131239154
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-ethoxyethyl)but-2-en-1-amine?
The IUPAC name of (Z)-N-(2-ethoxyethyl)but-2-en-1-amine (CID 143071709) is (Z)-N-(2-ethoxyethyl)but-2-en-1-amine.
What is the SMILES notation for (Z)-N-(2-ethoxyethyl)but-2-en-1-amine?
The canonical SMILES for (Z)-N-(2-ethoxyethyl)but-2-en-1-amine is C/C=C\CNCCOCC.
What is the InChIKey of (Z)-N-(2-ethoxyethyl)but-2-en-1-amine?
The InChIKey is NSUAYQFQVSEDCP-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-9-7-8-10-4-2/h3,5,9H,4,6-8H2,1-2H3/b5-3-.
What are the key properties of (Z)-N-(2-ethoxyethyl)but-2-en-1-amine?
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-ethoxyethyl)but-2-en-1-amine is sourced from PubChem (CID 143071709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).