(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

C9H19NO — CID 14658345

IUPAC(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESC/C(=C\CN)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(5-6-10)7-11-9(2,3)4/h5H,6-7,10H2,1-4H3/b8-5+
InChIKeyJACWFHSXBVDPOR-VMPITWQZSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds3

About (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (PubChem CID 14658345) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
PubChem CID14658345
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESC/C(=C\CN)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(5-6-10)7-11-9(2,3)4/h5H,6-7,10H2,1-4H3/b8-5+
InChIKeyJACWFHSXBVDPOR-VMPITWQZSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684168
3-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684996
4-Butoxybut-2-en-1-amine
CID 77110437
(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine
CID 158197410
2-[(Z)-2-methylbut-2-enoxy]propan-1-amine
CID 164006023
1-[(Z)-2-methylbut-2-enoxy]propan-1-amine
CID 173795716
(E)-4-ethoxy-3-methylbut-2-en-1-amine
CID 55290086
(E)-3-methyl-4-propoxybut-2-en-1-amine
CID 55290462
(E)-4-methoxy-3-methylbut-2-en-1-amine
CID 63969256
4-(Tert-butoxy)but-2-en-1-amine
CID 66043910
(E)-4-butan-2-yloxybut-2-en-1-amine
CID 66046314
4-Methoxy-3-methylbut-2-en-1-amine
CID 76997092

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The IUPAC name of (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (CID 14658345) is (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.
What is the SMILES notation for (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The canonical SMILES for (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is C/C(=C\CN)COC(C)(C)C.
What is the InChIKey of (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The InChIKey is JACWFHSXBVDPOR-VMPITWQZSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(5-6-10)7-11-9(2,3)4/h5H,6-7,10H2,1-4H3/b8-5+.
What are the key properties of (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is sourced from PubChem (CID 14658345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).