N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine

C15H26N2 — CID 115197894

IUPACN,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
SMILESCCCc1ccc(CN(C)CCCNC)cc1
InChIInChI=1S/C15H26N2/c1-4-6-14-7-9-15(10-8-14)13-17(3)12-5-11-16-2/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyXUEZRNMPZKTLDQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds8

About N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine

N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine (PubChem CID 115197894) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
PubChem CID115197894
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
SMILESCCCc1ccc(CN(C)CCCNC)cc1
InChIInChI=1S/C15H26N2/c1-4-6-14-7-9-15(10-8-14)13-17(3)12-5-11-16-2/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyXUEZRNMPZKTLDQ-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.68
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,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347507

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine (CID 115197894) is N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine is CCCc1ccc(CN(C)CCCNC)cc1.
What is the InChIKey of N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine?
The InChIKey is XUEZRNMPZKTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-14-7-9-15(10-8-14)13-17(3)12-5-11-16-2/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine?
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115197894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).