(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine

C27H32N2 — CID 14791980

IUPAC(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine
SMILESCC(C)C[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2/c1-23(2)18-27(20-28-19-24-12-6-3-7-13-24)29(21-25-14-8-4-9-15-25)22-26-16-10-5-11-17-26/h3-17,20,23,27H,18-19,21-22H2,1-2H3/b28-20+/t27-/m0/s1
InChIKeyZMODXRBXQZKMQI-ONNMZWHZSA-N
MW384.57 g/mol
LogP6.37
Rot. Bonds10

About (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine

(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine (PubChem CID 14791980) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine
PubChem CID14791980
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine
SMILESCC(C)C[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2/c1-23(2)18-27(20-28-19-24-12-6-3-7-13-24)29(21-25-14-8-4-9-15-25)22-26-16-10-5-11-17-26/h3-17,20,23,27H,18-19,21-22H2,1-2H3/b28-20+/t27-/m0/s1
InChIKeyZMODXRBXQZKMQI-ONNMZWHZSA-N
XLogP6.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine 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)-N-benzyl-2-chloropropan-1-imine
CID 131243971
(2S)-2-(dibenzylamino)-5-methylhexanal
CID 11461035
N-benzyl-3-methylbutan-1-imine
CID 11457986
N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
CID 10813020
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol
CID 91045575
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
(E,3S,4S)-4-(dibenzylamino)-6-methyl-1-phenylhept-1-en-3-ol
CID 102427916
(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
CID 15060581

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine?
The IUPAC name of (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine (CID 14791980) is (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine?
The canonical SMILES for (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine is CC(C)C[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine?
The InChIKey is ZMODXRBXQZKMQI-ONNMZWHZSA-N. The full InChI is InChI=1S/C27H32N2/c1-23(2)18-27(20-28-19-24-12-6-3-7-13-24)29(21-25-14-8-4-9-15-25)22-26-16-10-5-11-17-26/h3-17,20,23,27H,18-19,21-22H2,1-2H3/b28-20+/t27-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine?
(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine has a molecular weight of 384.57 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine is sourced from PubChem (CID 14791980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).