(2S)-2-(dibenzylamino)-4-methylpentan-1-ol

C20H27NO — CID 10780364

IUPAC(2S)-2-(dibenzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3/t20-/m0/s1
InChIKeyFWNZCCUWXPYXDR-FQEVSTJZSA-N
MW297.44 g/mol
LogP4.10
Rot. Bonds8

About (2S)-2-(dibenzylamino)-4-methylpentan-1-ol

(2S)-2-(dibenzylamino)-4-methylpentan-1-ol (PubChem CID 10780364) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-4-methylpentan-1-ol
PubChem CID10780364
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2S)-2-(dibenzylamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3/t20-/m0/s1
InChIKeyFWNZCCUWXPYXDR-FQEVSTJZSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol (CID 10780364) is (2S)-2-(dibenzylamino)-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol is CC(C)C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol?
The InChIKey is FWNZCCUWXPYXDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-4-methylpentan-1-ol?
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 10780364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).