[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine

C10H19NO — CID 148893611

IUPAC[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine
SMILESC=C(C)C(/C=C\C)CCOCN
InChIInChI=1S/C10H19NO/c1-4-5-10(9(2)3)6-7-12-8-11/h4-5,10H,2,6-8,11H2,1,3H3/b5-4-
InChIKeyPFKQDEMJVXBTTO-PLNGDYQASA-N
MW169.27 g/mol
LogP2.08
Rot. Bonds6

About [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine

[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine (PubChem CID 148893611) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine.

Molecular Properties

Compound Name[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine
PubChem CID148893611
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine
SMILESC=C(C)C(/C=C\C)CCOCN
InChIInChI=1S/C10H19NO/c1-4-5-10(9(2)3)6-7-12-8-11/h4-5,10H,2,6-8,11H2,1,3H3/b5-4-
InChIKeyPFKQDEMJVXBTTO-PLNGDYQASA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine?
The IUPAC name of [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine (CID 148893611) is [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine.
What is the SMILES notation for [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine?
The canonical SMILES for [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine is C=C(C)C(/C=C\C)CCOCN.
What is the InChIKey of [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine?
The InChIKey is PFKQDEMJVXBTTO-PLNGDYQASA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10(9(2)3)6-7-12-8-11/h4-5,10H,2,6-8,11H2,1,3H3/b5-4-.
What are the key properties of [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine?
[(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine has a molecular weight of 169.27 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-prop-1-en-2-ylhex-4-enoxy]methanamine is sourced from PubChem (CID 148893611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).