(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine

C8H17NO — CID 57190782

IUPAC(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine
SMILESCC/C=C/NOC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+
InChIKeyKRMDEZADVLYYQG-VOTSOKGWSA-N
MW143.23 g/mol
LogP2.23
Rot. Bonds3

About (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine

(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine (PubChem CID 57190782) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine
PubChem CID57190782
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine
SMILESCC/C=C/NOC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+
InChIKeyKRMDEZADVLYYQG-VOTSOKGWSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine?
The IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine (CID 57190782) is (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine.
What is the SMILES notation for (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine?
The canonical SMILES for (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine is CC/C=C/NOC(C)(C)C.
What is the InChIKey of (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine?
The InChIKey is KRMDEZADVLYYQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine?
(E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methylpropan-2-yl)oxy]but-1-en-1-amine is sourced from PubChem (CID 57190782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).