N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine

C15H26N2 — CID 55069248

IUPACN'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
SMILESCc1ccccc1N(C)CCCCNC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)16-11-7-8-12-17(4)15-10-6-5-9-14(15)3/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3
InChIKeyURBAGDVHBPXBTC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds7

About N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine

N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine (PubChem CID 55069248) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
PubChem CID55069248
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
SMILESCc1ccccc1N(C)CCCCNC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)16-11-7-8-12-17(4)15-10-6-5-9-14(15)3/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3
InChIKeyURBAGDVHBPXBTC-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
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)pentanehydrazide
CID 63583823
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
6-(N,2-dimethylanilino)hexan-3-one
CID 106801284

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine (CID 55069248) is N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine is Cc1ccccc1N(C)CCCCNC(C)C.
What is the InChIKey of N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is URBAGDVHBPXBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)16-11-7-8-12-17(4)15-10-6-5-9-14(15)3/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3.
What are the key properties of N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine?
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 55069248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).