N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine

C15H26N2 — CID 115197860

IUPACN-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCNCCCNCc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H26N2/c1-12(2)14-7-6-13(3)15(10-14)11-17-9-5-8-16-4/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyCZNKCNMQPCZBNN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine

N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine (PubChem CID 115197860) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
PubChem CID115197860
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCNCCCNCc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H26N2/c1-12(2)14-7-6-13(3)15(10-14)11-17-9-5-8-16-4/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyCZNKCNMQPCZBNN-UHFFFAOYSA-N
XLogP2.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.82
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

1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
4-[(2-methyl-5-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231720
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]butane-1,4-diamine
CID 115201433
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
N-methyl-N'-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 115197882
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
CID 115204032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine (CID 115197860) is N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine is CNCCCNCc1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The InChIKey is CZNKCNMQPCZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)14-7-6-13(3)15(10-14)11-17-9-5-8-16-4/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115197860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).