N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine

C24H44N2 — CID 90352637

IUPACN'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
SMILESCNCCCCCCCCCCCCCCCN(C)Cc1ccccc1
InChIInChI=1S/C24H44N2/c1-25-21-17-12-10-8-6-4-3-5-7-9-11-13-18-22-26(2)23-24-19-15-14-16-20-24/h14-16,19-20,25H,3-13,17-18,21-23H2,1-2H3
InChIKeyWRHHSVGFNXAJGA-UHFFFAOYSA-N
MW360.63 g/mol
LogP6.41
Rot. Bonds18

About N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine

N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine (PubChem CID 90352637) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
PubChem CID90352637
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC NameN'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
SMILESCNCCCCCCCCCCCCCCCN(C)Cc1ccccc1
InChIInChI=1S/C24H44N2/c1-25-21-17-12-10-8-6-4-3-5-7-9-11-13-18-22-26(2)23-24-19-15-14-16-20-24/h14-16,19-20,25H,3-13,17-18,21-23H2,1-2H3
InChIKeyWRHHSVGFNXAJGA-UHFFFAOYSA-N
XLogP6.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
N-methyl-9-phenylnonan-1-amine
CID 10609702

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine?
The IUPAC name of N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine (CID 90352637) is N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine.
What is the SMILES notation for N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine?
The canonical SMILES for N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine is CNCCCCCCCCCCCCCCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine?
The InChIKey is WRHHSVGFNXAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-25-21-17-12-10-8-6-4-3-5-7-9-11-13-18-22-26(2)23-24-19-15-14-16-20-24/h14-16,19-20,25H,3-13,17-18,21-23H2,1-2H3.
What are the key properties of N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine?
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine has a molecular weight of 360.63 g/mol, XLogP of 6.41, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine is sourced from PubChem (CID 90352637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).