(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol

C20H25NO — CID 102403190

IUPAC(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-2-9-20(17-22)16-21(14-18-10-5-3-6-11-18)15-19-12-7-4-8-13-19/h2-8,10-13,20,22H,1,9,14-17H2/t20-/m1/s1
InChIKeyBQEDCSCSKHTTEN-HXUWFJFHSA-N
MW295.43 g/mol
LogP3.87
Rot. Bonds9

About (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol

(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol (PubChem CID 102403190) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
PubChem CID102403190
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-2-9-20(17-22)16-21(14-18-10-5-3-6-11-18)15-19-12-7-4-8-13-19/h2-8,10-13,20,22H,1,9,14-17H2/t20-/m1/s1
InChIKeyBQEDCSCSKHTTEN-HXUWFJFHSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
CID 15316897
benzyl (3R)-3-(hydroxymethyl)hex-5-enoate
CID 58474144
(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
CID 102463026
CID 25267224
CID 25267224
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
(2S)-1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93164335
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
methyl 2-[(dibenzylamino)methyl]but-3-enoate
CID 10924921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol?
The IUPAC name of (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol (CID 102403190) is (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol?
The canonical SMILES for (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol is C=CC[C@@H](CO)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol?
The InChIKey is BQEDCSCSKHTTEN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-9-20(17-22)16-21(14-18-10-5-3-6-11-18)15-19-12-7-4-8-13-19/h2-8,10-13,20,22H,1,9,14-17H2/t20-/m1/s1.
What are the key properties of (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol?
(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol is sourced from PubChem (CID 102403190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).