N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine

C16H28N2 — CID 113410199

IUPACN'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCCc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-3-11-17-13-5-14-18-12-4-6-16-9-7-15(2)8-10-16/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyOGKVAMJPUZWLHJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.91
Rot. Bonds10

About N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine

N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine (PubChem CID 113410199) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
PubChem CID113410199
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCCc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-3-11-17-13-5-14-18-12-4-6-16-9-7-15(2)8-10-16/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyOGKVAMJPUZWLHJ-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
CID 22089622
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
3-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62505693
3-chloro-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 115215788

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine (CID 113410199) is N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine is CCCNCCCNCCCc1ccc(C)cc1.
What is the InChIKey of N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine?
The InChIKey is OGKVAMJPUZWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-11-17-13-5-14-18-12-4-6-16-9-7-15(2)8-10-16/h7-10,17-18H,3-6,11-14H2,1-2H3.
What are the key properties of N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine?
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 113410199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).