4-(4,4-dimethylpent-1-en-2-yl)aniline

C13H19N — CID 166727907

IUPAC4-(4,4-dimethylpent-1-en-2-yl)aniline
SMILESC=C(CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C13H19N/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8H,1,9,14H2,2-4H3
InChIKeyWBCUMHJZGKXTIW-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.72
Rot. Bonds2

About 4-(4,4-dimethylpent-1-en-2-yl)aniline

4-(4,4-dimethylpent-1-en-2-yl)aniline (PubChem CID 166727907) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(4,4-dimethylpent-1-en-2-yl)aniline.

Molecular Properties

Compound Name4-(4,4-dimethylpent-1-en-2-yl)aniline
PubChem CID166727907
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-(4,4-dimethylpent-1-en-2-yl)aniline
SMILESC=C(CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C13H19N/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8H,1,9,14H2,2-4H3
InChIKeyWBCUMHJZGKXTIW-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 142186727
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4-(1-methoxyethenyl)aniline
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CID 130564781
1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
CID 69226000
bis(4-aminobenzoic acid);ethene
CID 158776608
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 134365137
[(4-aminophenyl)-(methylamino)methylidene]tungsten
CID 58496499
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpent-1-en-2-yl)aniline?
The IUPAC name of 4-(4,4-dimethylpent-1-en-2-yl)aniline (CID 166727907) is 4-(4,4-dimethylpent-1-en-2-yl)aniline.
What is the SMILES notation for 4-(4,4-dimethylpent-1-en-2-yl)aniline?
The canonical SMILES for 4-(4,4-dimethylpent-1-en-2-yl)aniline is C=C(CC(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of 4-(4,4-dimethylpent-1-en-2-yl)aniline?
The InChIKey is WBCUMHJZGKXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8H,1,9,14H2,2-4H3.
What are the key properties of 4-(4,4-dimethylpent-1-en-2-yl)aniline?
4-(4,4-dimethylpent-1-en-2-yl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpent-1-en-2-yl)aniline is sourced from PubChem (CID 166727907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).