(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol

C12H23NO — CID 155070888

IUPAC(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol
SMILESC/C=C\C(=C\O)CCCCC(C)NC
InChIInChI=1S/C12H23NO/c1-4-7-12(10-14)9-6-5-8-11(2)13-3/h4,7,10-11,13-14H,5-6,8-9H2,1-3H3/b7-4-,12-10-
InChIKeyNMLOBJGANYRUAJ-BXOIZCENSA-N
MW197.32 g/mol
LogP3.17
Rot. Bonds7

About (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol

(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol (PubChem CID 155070888) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol.

Molecular Properties

Compound Name(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol
PubChem CID155070888
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol
SMILESC/C=C\C(=C\O)CCCCC(C)NC
InChIInChI=1S/C12H23NO/c1-4-7-12(10-14)9-6-5-8-11(2)13-3/h4,7,10-11,13-14H,5-6,8-9H2,1-3H3/b7-4-,12-10-
InChIKeyNMLOBJGANYRUAJ-BXOIZCENSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol?
The IUPAC name of (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol (CID 155070888) is (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol.
What is the SMILES notation for (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol?
The canonical SMILES for (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol is C/C=C\C(=C\O)CCCCC(C)NC.
What is the InChIKey of (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol?
The InChIKey is NMLOBJGANYRUAJ-BXOIZCENSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-12(10-14)9-6-5-8-11(2)13-3/h4,7,10-11,13-14H,5-6,8-9H2,1-3H3/b7-4-,12-10-.
What are the key properties of (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol?
(E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(methylamino)-2-[(Z)-prop-1-enyl]oct-1-en-1-ol is sourced from PubChem (CID 155070888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).