(Z)-1-methoxy-3-methylidenehex-4-en-2-amine

C8H15NO — CID 135277120

IUPAC(Z)-1-methoxy-3-methylidenehex-4-en-2-amine
SMILESC=C(/C=C\C)C(N)COC
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(9)6-10-3/h4-5,8H,2,6,9H2,1,3H3/b5-4-
InChIKeyJVXAFWDGYZCHOB-PLNGDYQASA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds4

About (Z)-1-methoxy-3-methylidenehex-4-en-2-amine

(Z)-1-methoxy-3-methylidenehex-4-en-2-amine (PubChem CID 135277120) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-1-methoxy-3-methylidenehex-4-en-2-amine.

Molecular Properties

Compound Name(Z)-1-methoxy-3-methylidenehex-4-en-2-amine
PubChem CID135277120
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-1-methoxy-3-methylidenehex-4-en-2-amine
SMILESC=C(/C=C\C)C(N)COC
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(9)6-10-3/h4-5,8H,2,6,9H2,1,3H3/b5-4-
InChIKeyJVXAFWDGYZCHOB-PLNGDYQASA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-3-methylidenehex-4-en-2-amine?
The IUPAC name of (Z)-1-methoxy-3-methylidenehex-4-en-2-amine (CID 135277120) is (Z)-1-methoxy-3-methylidenehex-4-en-2-amine.
What is the SMILES notation for (Z)-1-methoxy-3-methylidenehex-4-en-2-amine?
The canonical SMILES for (Z)-1-methoxy-3-methylidenehex-4-en-2-amine is C=C(/C=C\C)C(N)COC.
What is the InChIKey of (Z)-1-methoxy-3-methylidenehex-4-en-2-amine?
The InChIKey is JVXAFWDGYZCHOB-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(2)8(9)6-10-3/h4-5,8H,2,6,9H2,1,3H3/b5-4-.
What are the key properties of (Z)-1-methoxy-3-methylidenehex-4-en-2-amine?
(Z)-1-methoxy-3-methylidenehex-4-en-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-3-methylidenehex-4-en-2-amine is sourced from PubChem (CID 135277120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).