N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine

C15H26N2 — CID 115195580

IUPACN'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
SMILESCCCc1ccc(C(C)(C)CNCCN)cc1
InChIInChI=1S/C15H26N2/c1-4-5-13-6-8-14(9-7-13)15(2,3)12-17-11-10-16/h6-9,17H,4-5,10-12,16H2,1-3H3
InChIKeyYHIODXITIPRADT-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.46
Rot. Bonds7

About N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine

N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115195580) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
PubChem CID115195580
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
SMILESCCCc1ccc(C(C)(C)CNCCN)cc1
InChIInChI=1S/C15H26N2/c1-4-5-13-6-8-14(9-7-13)15(2,3)12-17-11-10-16/h6-9,17H,4-5,10-12,16H2,1-3H3
InChIKeyYHIODXITIPRADT-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 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 ≤ 52.46
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-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
CID 115172771
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine (CID 115195580) is N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine is CCCc1ccc(C(C)(C)CNCCN)cc1.
What is the InChIKey of N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is YHIODXITIPRADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-5-13-6-8-14(9-7-13)15(2,3)12-17-11-10-16/h6-9,17H,4-5,10-12,16H2,1-3H3.
What are the key properties of N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine?
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115195580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).