3-tert-butyl-N-prop-2-enylaniline

C13H19N — CID 171478062

IUPAC3-tert-butyl-N-prop-2-enylaniline
SMILESC=CCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19N/c1-5-9-14-12-8-6-7-11(10-12)13(2,3)4/h5-8,10,14H,1,9H2,2-4H3
InChIKeyKIANZPYNJMQWIF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.58
Rot. Bonds3

About 3-tert-butyl-N-prop-2-enylaniline

3-tert-butyl-N-prop-2-enylaniline (PubChem CID 171478062) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-tert-butyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name3-tert-butyl-N-prop-2-enylaniline
PubChem CID171478062
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-tert-butyl-N-prop-2-enylaniline
SMILESC=CCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19N/c1-5-9-14-12-8-6-7-11(10-12)13(2,3)4/h5-8,10,14H,1,9H2,2-4H3
InChIKeyKIANZPYNJMQWIF-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine
CID 167385074
3-(bromomethyl)-N-prop-2-enylaniline
CID 91103507
3-tert-butyl-N-(ethyl-methylidene-oxo-λ6-sulfanyl)aniline
CID 159806383
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
3-tert-butyl-N-phenylaniline
CID 19803090
3-cyclobutyl-N-prop-2-enylaniline
CID 130609398
2-(3-tert-butylanilino)acetamide
CID 59090676
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
N-[2-(3-tert-butylanilino)ethyl]acetamide
CID 59090695
alumane;1,3-ditert-butylbenzene
CID 174392215

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-prop-2-enylaniline?
The IUPAC name of 3-tert-butyl-N-prop-2-enylaniline (CID 171478062) is 3-tert-butyl-N-prop-2-enylaniline.
What is the SMILES notation for 3-tert-butyl-N-prop-2-enylaniline?
The canonical SMILES for 3-tert-butyl-N-prop-2-enylaniline is C=CCNc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-prop-2-enylaniline?
The InChIKey is KIANZPYNJMQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-9-14-12-8-6-7-11(10-12)13(2,3)4/h5-8,10,14H,1,9H2,2-4H3.
What are the key properties of 3-tert-butyl-N-prop-2-enylaniline?
3-tert-butyl-N-prop-2-enylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-prop-2-enylaniline is sourced from PubChem (CID 171478062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).