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

C9H19NO — CID 143586756

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=C(OC(C)(C)C)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-7(9(5,6)10)11-8(2,3)4/h1,10H2,2-6H3
InChIKeyBPMLGMHCTPIOAL-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (PubChem CID 143586756) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
PubChem CID143586756
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=C(OC(C)(C)C)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-7(9(5,6)10)11-8(2,3)4/h1,10H2,2-6H3
InChIKeyBPMLGMHCTPIOAL-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (CID 143586756) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is C=C(OC(C)(C)C)C(C)(C)N.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The InChIKey is BPMLGMHCTPIOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(9(5,6)10)11-8(2,3)4/h1,10H2,2-6H3.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is sourced from PubChem (CID 143586756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).