(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine

C9H17NO — CID 158197410

IUPAC(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine
SMILESC=C(C)CCOC/C=C/CN
InChIInChI=1S/C9H17NO/c1-9(2)5-8-11-7-4-3-6-10/h3-4H,1,5-8,10H2,2H3/b4-3+
InChIKeyGAMTVGSTXOOYNF-ONEGZZNKSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds6

About (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine

(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine (PubChem CID 158197410) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine
PubChem CID158197410
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine
SMILESC=C(C)CCOC/C=C/CN
InChIInChI=1S/C9H17NO/c1-9(2)5-8-11-7-4-3-6-10/h3-4H,1,5-8,10H2,2H3/b4-3+
InChIKeyGAMTVGSTXOOYNF-ONEGZZNKSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
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

4-Butoxybut-2-en-1-amine
CID 77110437
(Z,2R)-5-butoxypent-3-en-2-amine
CID 117828191
ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
CID 171652279
(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
CID 14658345
[(E)-3-(methoxymethyl)-pent-2-enyl]-amine
CID 24973267
(E)-3-methyl-4-propoxybut-2-en-1-amine
CID 55290462
(E)-4-(methoxymethyl)hex-3-en-1-amine
CID 64395994
4-(Tert-butoxy)but-2-en-1-amine
CID 66043910
3-(Methoxymethyl)pent-2-en-1-amine
CID 74377268
4-(Methoxymethyl)hex-3-en-1-amine
CID 77037489
4-[(2-Methylpropan-2-yl)oxy]but-2-en-1-amine
CID 77110141
4-(3-Methylbutoxy)but-2-en-1-amine
CID 77110429

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine?
The IUPAC name of (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine (CID 158197410) is (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine?
The canonical SMILES for (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine is C=C(C)CCOC/C=C/CN.
What is the InChIKey of (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine?
The InChIKey is GAMTVGSTXOOYNF-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)5-8-11-7-4-3-6-10/h3-4H,1,5-8,10H2,2H3/b4-3+.
What are the key properties of (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine?
(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine is sourced from PubChem (CID 158197410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).