N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine

C27H33N — CID 142069158

IUPACN,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
SMILESCCCC(C(C)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N/c1-3-13-27(23(2)20-24-14-7-4-8-15-24)28(21-25-16-9-5-10-17-25)22-26-18-11-6-12-19-26/h4-12,14-19,23,27H,3,13,20-22H2,1-2H3
InChIKeyYIIOQMNRCXBZHB-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.74
Rot. Bonds10

About N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine

N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine (PubChem CID 142069158) 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-3-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
PubChem CID142069158
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC NameN,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
SMILESCCCC(C(C)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N/c1-3-13-27(23(2)20-24-14-7-4-8-15-24)28(21-25-16-9-5-10-17-25)22-26-18-11-6-12-19-26/h4-12,14-19,23,27H,3,13,20-22H2,1-2H3
InChIKeyYIIOQMNRCXBZHB-UHFFFAOYSA-N
XLogP6.74
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 ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(4S,5R)-4-(dibenzylamino)icosan-5-ol
CID 58743391
(3-bromo-2-methylhexyl)benzene
CID 83051885
methyl (2S,4S,5S)-2-benzyl-5-(dibenzylamino)-4-hydroxyoctanoate
CID 10790107
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(3R,4S)-4-(dibenzylamino)-3-ethenylheptanal
CID 46218091
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
3-methyl-1-phenylhexan-2-ol
CID 63018482
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
2,3-dimethylbutylbenzene
CID 12054035
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
N,N-diethyl-1-phenylpropan-2-amine
CID 521361

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine?
The IUPAC name of N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine (CID 142069158) is N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine.
What is the SMILES notation for N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine?
The canonical SMILES for N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine is CCCC(C(C)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine?
The InChIKey is YIIOQMNRCXBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-3-13-27(23(2)20-24-14-7-4-8-15-24)28(21-25-16-9-5-10-17-25)22-26-18-11-6-12-19-26/h4-12,14-19,23,27H,3,13,20-22H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine?
N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine has a molecular weight of 371.57 g/mol, XLogP of 6.74, 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-3-amine is sourced from PubChem (CID 142069158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).