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

C15H26N2 — CID 66453210

IUPAC1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
SMILESCCN(CC(C)(C)C(C)N)c1ccc(C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(11-15(4,5)13(3)16)14-9-7-12(2)8-10-14/h7-10,13H,6,11,16H2,1-5H3
InChIKeyPNSXNSHKJOMUJI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.19
Rot. Bonds5

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

1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine (PubChem CID 66453210) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
PubChem CID66453210
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
SMILESCCN(CC(C)(C)C(C)N)c1ccc(C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(11-15(4,5)13(3)16)14-9-7-12(2)8-10-14/h7-10,13H,6,11,16H2,1-5H3
InChIKeyPNSXNSHKJOMUJI-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453264
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-N-(3,5-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453644
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
CID 65267083
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 63470194
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine?
The IUPAC name of 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine (CID 66453210) is 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine is CCN(CC(C)(C)C(C)N)c1ccc(C)cc1.
What is the InChIKey of 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine?
The InChIKey is PNSXNSHKJOMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(11-15(4,5)13(3)16)14-9-7-12(2)8-10-14/h7-10,13H,6,11,16H2,1-5H3.
What are the key properties of 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine?
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine is sourced from PubChem (CID 66453210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).