N,N-bis(prop-2-enylamino)aniline

C12H17N3 — CID 70255939

IUPACN,N-bis(prop-2-enylamino)aniline
SMILESC=CCNN(NCC=C)c1ccccc1
InChIInChI=1S/C12H17N3/c1-3-10-13-15(14-11-4-2)12-8-6-5-7-9-12/h3-9,13-14H,1-2,10-11H2
InChIKeyCEJPQNDRUMOECG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.87
Rot. Bonds7

About N,N-bis(prop-2-enylamino)aniline

N,N-bis(prop-2-enylamino)aniline (PubChem CID 70255939) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N-bis(prop-2-enylamino)aniline.

Molecular Properties

Compound NameN,N-bis(prop-2-enylamino)aniline
PubChem CID70255939
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N-bis(prop-2-enylamino)aniline
SMILESC=CCNN(NCC=C)c1ccccc1
InChIInChI=1S/C12H17N3/c1-3-10-13-15(14-11-4-2)12-8-6-5-7-9-12/h3-9,13-14H,1-2,10-11H2
InChIKeyCEJPQNDRUMOECG-UHFFFAOYSA-N
XLogP1.87
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enylamino)aniline?
The IUPAC name of N,N-bis(prop-2-enylamino)aniline (CID 70255939) is N,N-bis(prop-2-enylamino)aniline.
What is the SMILES notation for N,N-bis(prop-2-enylamino)aniline?
The canonical SMILES for N,N-bis(prop-2-enylamino)aniline is C=CCNN(NCC=C)c1ccccc1.
What is the InChIKey of N,N-bis(prop-2-enylamino)aniline?
The InChIKey is CEJPQNDRUMOECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10-13-15(14-11-4-2)12-8-6-5-7-9-12/h3-9,13-14H,1-2,10-11H2.
What are the key properties of N,N-bis(prop-2-enylamino)aniline?
N,N-bis(prop-2-enylamino)aniline has a molecular weight of 203.29 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enylamino)aniline is sourced from PubChem (CID 70255939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).