4-butyl-N-(2-methylprop-2-enyl)aniline

C14H21N — CID 62331325

IUPAC4-butyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1ccc(CCCC)cc1
InChIInChI=1S/C14H21N/c1-4-5-6-13-7-9-14(10-8-13)15-11-12(2)3/h7-10,15H,2,4-6,11H2,1,3H3
InChIKeyZDVXLLVHXJKULD-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.02
Rot. Bonds6

About 4-butyl-N-(2-methylprop-2-enyl)aniline

4-butyl-N-(2-methylprop-2-enyl)aniline (PubChem CID 62331325) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-butyl-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(2-methylprop-2-enyl)aniline
PubChem CID62331325
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-butyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1ccc(CCCC)cc1
InChIInChI=1S/C14H21N/c1-4-5-6-13-7-9-14(10-8-13)15-11-12(2)3/h7-10,15H,2,4-6,11H2,1,3H3
InChIKeyZDVXLLVHXJKULD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-butyl-N-(2-methylprop-2-enyl)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

1-N-[(4-pentylphenyl)methyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 138455661
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
5-(4-butylanilino)pentan-1-ol
CID 62228069
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-ethyl-4-nonylaniline
CID 154108619
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of 4-butyl-N-(2-methylprop-2-enyl)aniline (CID 62331325) is 4-butyl-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 4-butyl-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 4-butyl-N-(2-methylprop-2-enyl)aniline is C=C(C)CNc1ccc(CCCC)cc1.
What is the InChIKey of 4-butyl-N-(2-methylprop-2-enyl)aniline?
The InChIKey is ZDVXLLVHXJKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-5-6-13-7-9-14(10-8-13)15-11-12(2)3/h7-10,15H,2,4-6,11H2,1,3H3.
What are the key properties of 4-butyl-N-(2-methylprop-2-enyl)aniline?
4-butyl-N-(2-methylprop-2-enyl)aniline has a molecular weight of 203.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 62331325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).