2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine

C16H28N2 — CID 112516072

IUPAC2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)CC(CCN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-16(2,3)15-8-6-13(7-9-15)14(10-11-17)12-18(4)5/h6-9,14H,10-12,17H2,1-5H3
InChIKeyHQCWRAFOJZFSEG-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine

2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 112516072) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
PubChem CID112516072
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)CC(CCN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-16(2,3)15-8-6-13(7-9-15)14(10-11-17)12-18(4)5/h6-9,14H,10-12,17H2,1-5H3
InChIKeyHQCWRAFOJZFSEG-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202
2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112517060
N,N-dimethyl-2-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 112517542
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
CID 144560796
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
N-methyl-N,2-diphenylbutane-1,4-diamine
CID 112516401
5-amino-4-(4-tert-butylphenyl)pentanoic acid
CID 112518671
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
3-(4-tert-butylphenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244796
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine (CID 112516072) is 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine is CN(C)CC(CCN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is HQCWRAFOJZFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)15-8-6-13(7-9-15)14(10-11-17)12-18(4)5/h6-9,14H,10-12,17H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine?
2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 112516072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).