N-propan-2-yl-3,5-bis(prop-2-enyl)aniline

C15H21N — CID 70587286

IUPACN-propan-2-yl-3,5-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(CC=C)cc(NC(C)C)c1
InChIInChI=1S/C15H21N/c1-5-7-13-9-14(8-6-2)11-15(10-13)16-12(3)4/h5-6,9-12,16H,1-2,7-8H2,3-4H3
InChIKeyMCJCEDIWKCKEDG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.96
Rot. Bonds6

About N-propan-2-yl-3,5-bis(prop-2-enyl)aniline

N-propan-2-yl-3,5-bis(prop-2-enyl)aniline (PubChem CID 70587286) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-propan-2-yl-3,5-bis(prop-2-enyl)aniline.

Molecular Properties

Compound NameN-propan-2-yl-3,5-bis(prop-2-enyl)aniline
PubChem CID70587286
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-propan-2-yl-3,5-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(CC=C)cc(NC(C)C)c1
InChIInChI=1S/C15H21N/c1-5-7-13-9-14(8-6-2)11-15(10-13)16-12(3)4/h5-6,9-12,16H,1-2,7-8H2,3-4H3
InChIKeyMCJCEDIWKCKEDG-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3,5-bis(prop-2-enyl)aniline?
The IUPAC name of N-propan-2-yl-3,5-bis(prop-2-enyl)aniline (CID 70587286) is N-propan-2-yl-3,5-bis(prop-2-enyl)aniline.
What is the SMILES notation for N-propan-2-yl-3,5-bis(prop-2-enyl)aniline?
The canonical SMILES for N-propan-2-yl-3,5-bis(prop-2-enyl)aniline is C=CCc1cc(CC=C)cc(NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3,5-bis(prop-2-enyl)aniline?
The InChIKey is MCJCEDIWKCKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-7-13-9-14(8-6-2)11-15(10-13)16-12(3)4/h5-6,9-12,16H,1-2,7-8H2,3-4H3.
What are the key properties of N-propan-2-yl-3,5-bis(prop-2-enyl)aniline?
N-propan-2-yl-3,5-bis(prop-2-enyl)aniline has a molecular weight of 215.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3,5-bis(prop-2-enyl)aniline is sourced from PubChem (CID 70587286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).