(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine

C10H17NO — CID 91217550

IUPAC(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine
SMILESC/C=C\NC.C=CC=C/C=C\O
InChIInChI=1S/C6H8O.C4H9N/c1-2-3-4-5-6-7;1-3-4-5-2/h2-7H,1H2;3-5H,1-2H3/b4-3?,6-5-;4-3-
InChIKeyJSCQBIDDHMBEKS-XMXDQTEXSA-N
MW167.25 g/mol
LogP2.54
Rot. Bonds3

About (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine

(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine (PubChem CID 91217550) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine
PubChem CID91217550
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine
SMILESC/C=C\NC.C=CC=C/C=C\O
InChIInChI=1S/C6H8O.C4H9N/c1-2-3-4-5-6-7;1-3-4-5-2/h2-7H,1H2;3-5H,1-2H3/b4-3?,6-5-;4-3-
InChIKeyJSCQBIDDHMBEKS-XMXDQTEXSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
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 (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine?
The IUPAC name of (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine (CID 91217550) is (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine?
The canonical SMILES for (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine is C/C=C\NC.C=CC=C/C=C\O.
What is the InChIKey of (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine?
The InChIKey is JSCQBIDDHMBEKS-XMXDQTEXSA-N. The full InChI is InChI=1S/C6H8O.C4H9N/c1-2-3-4-5-6-7;1-3-4-5-2/h2-7H,1H2;3-5H,1-2H3/b4-3?,6-5-;4-3-.
What are the key properties of (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine?
(1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-hexa-1,3,5-trien-1-ol;(Z)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 91217550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).