1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine

C15H26N2 — CID 54796313

IUPAC1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)16-12-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyPKJPAURNIQRKRO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.99
Rot. Bonds5

About 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 54796313) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID54796313
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)16-12-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyPKJPAURNIQRKRO-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol
CID 81414604
N-ethyl-4-[tris[4-(diethylamino)phenyl]methyl]aniline
CID 59357333
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-[4-(diethylamino)anilino]acetonitrile
CID 63180222
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
4-tert-butyl-N,N-diethylaniline
CID 10632068
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 83962209

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 54796313) is 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NCC(C)(C)C)cc1.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is PKJPAURNIQRKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)16-12-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3.
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 54796313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).