(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol

C21H27NO — CID 5368633

IUPAC(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol
SMILESCC(C)C(/C=C/CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-18(2)21(14-9-15-23)22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-14,18,21,23H,15-17H2,1-2H3/b14-9+
InChIKeyHHAZOHSKZDYPNQ-NTEUORMPSA-N
MW309.45 g/mol
LogP4.26
Rot. Bonds8

About (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol

(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol (PubChem CID 5368633) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol
PubChem CID5368633
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol
SMILESCC(C)C(/C=C/CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-18(2)21(14-9-15-23)22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-14,18,21,23H,15-17H2,1-2H3/b14-9+
InChIKeyHHAZOHSKZDYPNQ-NTEUORMPSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol?
The IUPAC name of (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol (CID 5368633) is (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol.
What is the SMILES notation for (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol?
The canonical SMILES for (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol is CC(C)C(/C=C/CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol?
The InChIKey is HHAZOHSKZDYPNQ-NTEUORMPSA-N. The full InChI is InChI=1S/C21H27NO/c1-18(2)21(14-9-15-23)22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-14,18,21,23H,15-17H2,1-2H3/b14-9+.
What are the key properties of (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol?
(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol is sourced from PubChem (CID 5368633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).