(E)-3-methoxy-2-methylidenepent-3-en-1-amine

C7H13NO — CID 130357353

IUPAC(E)-3-methoxy-2-methylidenepent-3-en-1-amine
SMILESC=C(CN)/C(=C\C)OC
InChIInChI=1S/C7H13NO/c1-4-7(9-3)6(2)5-8/h4H,2,5,8H2,1,3H3/b7-4+
InChIKeyJPCGSMYKUNVYJJ-QPJJXVBHSA-N
MW127.19 g/mol
LogP1.05
Rot. Bonds3

About (E)-3-methoxy-2-methylidenepent-3-en-1-amine

(E)-3-methoxy-2-methylidenepent-3-en-1-amine (PubChem CID 130357353) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-3-methoxy-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-methoxy-2-methylidenepent-3-en-1-amine
PubChem CID130357353
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-3-methoxy-2-methylidenepent-3-en-1-amine
SMILESC=C(CN)/C(=C\C)OC
InChIInChI=1S/C7H13NO/c1-4-7(9-3)6(2)5-8/h4H,2,5,8H2,1,3H3/b7-4+
InChIKeyJPCGSMYKUNVYJJ-QPJJXVBHSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-methylidenepent-3-en-1-amine?
The IUPAC name of (E)-3-methoxy-2-methylidenepent-3-en-1-amine (CID 130357353) is (E)-3-methoxy-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for (E)-3-methoxy-2-methylidenepent-3-en-1-amine?
The canonical SMILES for (E)-3-methoxy-2-methylidenepent-3-en-1-amine is C=C(CN)/C(=C\C)OC.
What is the InChIKey of (E)-3-methoxy-2-methylidenepent-3-en-1-amine?
The InChIKey is JPCGSMYKUNVYJJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9-3)6(2)5-8/h4H,2,5,8H2,1,3H3/b7-4+.
What are the key properties of (E)-3-methoxy-2-methylidenepent-3-en-1-amine?
(E)-3-methoxy-2-methylidenepent-3-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 130357353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).