N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine

C15H26N2 — CID 55069200

IUPACN-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(C)CCCNC(C)(C)C
InChIInChI=1S/C15H26N2/c1-13-9-6-7-10-14(13)17(5)12-8-11-16-15(2,3)4/h6-7,9-10,16H,8,11-12H2,1-5H3
InChIKeyZDXUYNONLNHRCL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds5

About N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine

N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 55069200) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID55069200
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(C)CCCNC(C)(C)C
InChIInChI=1S/C15H26N2/c1-13-9-6-7-10-14(13)17(5)12-8-11-16-15(2,3)4/h6-7,9-10,16H,8,11-12H2,1-5H3
InChIKeyZDXUYNONLNHRCL-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
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-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
N,2-dimethyl-N-propylaniline
CID 69435269
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790737
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
4-(N,2-dimethylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64791132
5-(N,2-dimethylanilino)pentanehydrazide
CID 63583823

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine (CID 55069200) is N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1N(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ZDXUYNONLNHRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-9-6-7-10-14(13)17(5)12-8-11-16-15(2,3)4/h6-7,9-10,16H,8,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 55069200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).