4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine

C11H21NO — CID 145061779

IUPAC4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine
SMILESC=C(/C=C\C)CCOCCCCN
InChIInChI=1S/C11H21NO/c1-3-6-11(2)7-10-13-9-5-4-8-12/h3,6H,2,4-5,7-10,12H2,1H3/b6-3-
InChIKeyCUIQIOUQFPNKFB-UTCJRWHESA-N
MW183.30 g/mol
LogP2.26
Rot. Bonds8

About 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine

4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine (PubChem CID 145061779) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine.

Molecular Properties

Compound Name4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine
PubChem CID145061779
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine
SMILESC=C(/C=C\C)CCOCCCCN
InChIInChI=1S/C11H21NO/c1-3-6-11(2)7-10-13-9-5-4-8-12/h3,6H,2,4-5,7-10,12H2,1H3/b6-3-
InChIKeyCUIQIOUQFPNKFB-UTCJRWHESA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine?
The IUPAC name of 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine (CID 145061779) is 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine.
What is the SMILES notation for 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine?
The canonical SMILES for 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine is C=C(/C=C\C)CCOCCCCN.
What is the InChIKey of 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine?
The InChIKey is CUIQIOUQFPNKFB-UTCJRWHESA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-11(2)7-10-13-9-5-4-8-12/h3,6H,2,4-5,7-10,12H2,1H3/b6-3-.
What are the key properties of 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine?
4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine is sourced from PubChem (CID 145061779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).