N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine

C27H33N — CID 164668380

IUPACN,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
SMILESCCCCC(C)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N/c1-3-4-20-27(2,21-24-14-8-5-9-15-24)28(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19H,3-4,20-23H2,1-2H3
InChIKeyOTFHTRHHTGCVFH-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.88
Rot. Bonds10

About N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine

N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine (PubChem CID 164668380) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
PubChem CID164668380
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC NameN,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
SMILESCCCCC(C)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N/c1-3-4-20-27(2,21-24-14-8-5-9-15-24)28(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19H,3-4,20-23H2,1-2H3
InChIKeyOTFHTRHHTGCVFH-UHFFFAOYSA-N
XLogP6.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dibenzyl-2-methyl-1-phenylhexan-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

N,N-dibenzyl-3-methylheptan-3-amine
CID 164668379
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
2,2-dimethylpentylbenzene
CID 15727699
(2-benzyl-1-phenylhexan-2-yl)phosphane
CID 118892765
(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
CID 66813994
azane;2,2-dimethylbutylbenzene
CID 175285583
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
3-benzylhept-1-en-3-amine
CID 174302604
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
2-methylhexan-2-yloxymethylbenzene
CID 134222440
3-methyl-1-phenylheptan-3-amine
CID 121493813
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine?
The IUPAC name of N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine (CID 164668380) is N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine.
What is the SMILES notation for N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine?
The canonical SMILES for N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine is CCCCC(C)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine?
The InChIKey is OTFHTRHHTGCVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-3-4-20-27(2,21-24-14-8-5-9-15-24)28(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19H,3-4,20-23H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine?
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine has a molecular weight of 371.57 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine is sourced from PubChem (CID 164668380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).