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

C9H19NO — CID 23297116

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=C(C)C(N)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(10)6-11-9(3,4)5/h8H,1,6,10H2,2-5H3
InChIKeyBVZNPUMKNQOGKZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds3

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

3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (PubChem CID 23297116) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
PubChem CID23297116
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=C(C)C(N)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(10)6-11-9(3,4)5/h8H,1,6,10H2,2-5H3
InChIKeyBVZNPUMKNQOGKZ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-Butoxy-4-methylpent-1-en-3-amine
CID 126663156
3-Butoxybut-3-en-2-amine
CID 126663219
(2R)-3-(2-methylpropoxy)but-3-en-2-amine
CID 130402785
(2S)-3-butoxybut-3-en-2-amine
CID 143815001
4-Methyl-2-propoxypent-1-en-3-amine
CID 154671444
2-Ethoxy-4-methylpent-1-en-3-amine
CID 155034073
3-[(2-Methylpropan-2-yl)oxy]but-3-en-2-amine
CID 170095266
Ethane;2-ethoxy-4-methylpent-1-en-3-amine
CID 177974551
4-Methoxy-2-methylpent-1-en-3-amine
CID 55284310
1-Methoxy-3-methylbut-3-en-2-amine
CID 79177933
4-Ethoxy-2-methylpent-1-en-3-amine
CID 79179044
1-Ethoxy-3-methylbut-3-en-2-amine
CID 79179064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (CID 23297116) is 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is C=C(C)C(N)COC(C)(C)C.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The InChIKey is BVZNPUMKNQOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(10)6-11-9(3,4)5/h8H,1,6,10H2,2-5H3.
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is sourced from PubChem (CID 23297116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).