(E)-2-methoxybut-1-en-1-amine

C5H11NO — CID 154548858

IUPAC(E)-2-methoxybut-1-en-1-amine
SMILESCC/C(=C\N)OC
InChIInChI=1S/C5H11NO/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4+
InChIKeyBINZUNNTDBEEOE-SNAWJCMRSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds2

About (E)-2-methoxybut-1-en-1-amine

(E)-2-methoxybut-1-en-1-amine (PubChem CID 154548858) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-2-methoxybut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methoxybut-1-en-1-amine
PubChem CID154548858
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-2-methoxybut-1-en-1-amine
SMILESCC/C(=C\N)OC
InChIInChI=1S/C5H11NO/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4+
InChIKeyBINZUNNTDBEEOE-SNAWJCMRSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
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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Related Compounds

(E)-2-ethoxyprop-1-en-1-amine
CID 88960597
3-Methoxybut-3-en-1-amine
CID 89264894
(E)-2-propoxyprop-1-en-1-amine
CID 89593389
(Z)-2-ethenoxy-3-methylbut-1-en-1-amine
CID 126693326
(E)-2-methoxy-N-methylprop-1-en-1-amine
CID 129180349
(Z)-2-but-1-en-2-yloxyethenamine
CID 129289643
3-Methoxypenta-3,4-dien-1-amine
CID 139950067
O-[(Z)-1-aminobut-1-en-2-yl]hydroxylamine
CID 141972364
ethane;(Z)-2-ethenoxyprop-1-en-1-amine
CID 142458856
(Z)-2-ethenoxyprop-1-en-1-amine
CID 142458857
ethane;(Z)-2-methoxyprop-1-en-1-amine
CID 143798322
(Z)-2-methoxyprop-1-en-1-amine
CID 143798323

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxybut-1-en-1-amine?
The IUPAC name of (E)-2-methoxybut-1-en-1-amine (CID 154548858) is (E)-2-methoxybut-1-en-1-amine.
What is the SMILES notation for (E)-2-methoxybut-1-en-1-amine?
The canonical SMILES for (E)-2-methoxybut-1-en-1-amine is CC/C(=C\N)OC.
What is the InChIKey of (E)-2-methoxybut-1-en-1-amine?
The InChIKey is BINZUNNTDBEEOE-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-2-methoxybut-1-en-1-amine?
(E)-2-methoxybut-1-en-1-amine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxybut-1-en-1-amine is sourced from PubChem (CID 154548858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).