N-(3,3-dimethylbut-1-en-2-yl)aniline

C12H17N — CID 102590212

IUPACN-(3,3-dimethylbut-1-en-2-yl)aniline
SMILESC=C(Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H17N/c1-10(12(2,3)4)13-11-8-6-5-7-9-11/h5-9,13H,1H2,2-4H3
InChIKeyAZHHOUJVCAWKCO-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.66
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)aniline

N-(3,3-dimethylbut-1-en-2-yl)aniline (PubChem CID 102590212) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)aniline
PubChem CID102590212
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)aniline
SMILESC=C(Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H17N/c1-10(12(2,3)4)13-11-8-6-5-7-9-11/h5-9,13H,1H2,2-4H3
InChIKeyAZHHOUJVCAWKCO-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dimethylbut-1-en-2-yl)aniline 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

4-(3,3-dimethylbut-1-en-2-ylamino)phenol
CID 130441332
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
1-N',1-N'-dimethyl-1-N-phenylethene-1,1-diamine
CID 131994247
N-(3-methylbut-1-en-2-yl)aniline
CID 135251792
1-(2-methylbut-3-en-2-yl)-3-phenylurea
CID 14940484
2-anilino-N-phenylprop-2-enamide
CID 20522355
2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
CID 10399263
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide
CID 15681099
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
CID 146169849
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
tert-butyl N-phenylcarbamodithioate
CID 100915333

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)aniline?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)aniline (CID 102590212) is N-(3,3-dimethylbut-1-en-2-yl)aniline.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)aniline?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)aniline is C=C(Nc1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)aniline?
The InChIKey is AZHHOUJVCAWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(12(2,3)4)13-11-8-6-5-7-9-11/h5-9,13H,1H2,2-4H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)aniline?
N-(3,3-dimethylbut-1-en-2-yl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)aniline is sourced from PubChem (CID 102590212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).