N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

C15H26N2 — CID 115200137

IUPACN'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCc1ccc(CCNCC(C)(C)CN)cc1
InChIInChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)9-10-17-12-15(2,3)11-16/h5-8,17H,4,9-12,16H2,1-3H3
InChIKeyVWYYSLQNNMEQBB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.37
Rot. Bonds7

About N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115200137) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115200137
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCc1ccc(CCNCC(C)(C)CN)cc1
InChIInChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)9-10-17-12-15(2,3)11-16/h5-8,17H,4,9-12,16H2,1-3H3
InChIKeyVWYYSLQNNMEQBB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200140
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
2,2-dimethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115205015
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414344
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (CID 115200137) is N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is CCc1ccc(CCNCC(C)(C)CN)cc1.
What is the InChIKey of N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is VWYYSLQNNMEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)9-10-17-12-15(2,3)11-16/h5-8,17H,4,9-12,16H2,1-3H3.
What are the key properties of N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115200137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).