2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine

C15H26N2 — CID 62001435

IUPAC2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)C(C)(C)C
InChIInChI=1S/C15H26N2/c1-6-17(14(11-16)15(3,4)5)13-9-7-12(2)8-10-13/h7-10,14H,6,11,16H2,1-5H3
InChIKeyLYSSJULIVQIUGL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.19
Rot. Bonds4

About 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine

2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine (PubChem CID 62001435) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
PubChem CID62001435
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)C(C)(C)C
InChIInChI=1S/C15H26N2/c1-6-17(14(11-16)15(3,4)5)13-9-7-12(2)8-10-13/h7-10,14H,6,11,16H2,1-5H3
InChIKeyLYSSJULIVQIUGL-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63404268
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384515
2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55072258
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
CID 82021074

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine (CID 62001435) is 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)C(C)(C)C.
What is the InChIKey of 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The InChIKey is LYSSJULIVQIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(14(11-16)15(3,4)5)13-9-7-12(2)8-10-13/h7-10,14H,6,11,16H2,1-5H3.
What are the key properties of 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 62001435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).