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

C15H26N2 — CID 115200140

IUPACN'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(CCNCC(C)(C)CN)cc1C
InChIInChI=1S/C15H26N2/c1-12-5-6-14(9-13(12)2)7-8-17-11-15(3,4)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyRWBAEPSYBWOWFP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.42
Rot. Bonds6

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

N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115200140) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115200140
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCc1ccc(CCNCC(C)(C)CN)cc1C
InChIInChI=1S/C15H26N2/c1-12-5-6-14(9-13(12)2)7-8-17-11-15(3,4)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyRWBAEPSYBWOWFP-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.42
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-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200137
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234199
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (CID 115200140) is N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is Cc1ccc(CCNCC(C)(C)CN)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is RWBAEPSYBWOWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-5-6-14(9-13(12)2)7-8-17-11-15(3,4)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3.
What are the key properties of N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115200140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).