4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline

C14H15N — CID 143230772

IUPAC4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline
SMILESC#Cc1ccc(N(C(=C)C)C(=C)C)cc1
InChIInChI=1S/C14H15N/c1-6-13-7-9-14(10-8-13)15(11(2)3)12(4)5/h1,7-10H,2,4H2,3,5H3
InChIKeyAQIJBXWRAWDZTO-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.54
Rot. Bonds3

About 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline

4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline (PubChem CID 143230772) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline.

Molecular Properties

Compound Name4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline
PubChem CID143230772
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline
SMILESC#Cc1ccc(N(C(=C)C)C(=C)C)cc1
InChIInChI=1S/C14H15N/c1-6-13-7-9-14(10-8-13)15(11(2)3)12(4)5/h1,7-10H,2,4H2,3,5H3
InChIKeyAQIJBXWRAWDZTO-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline?
The IUPAC name of 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline (CID 143230772) is 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline.
What is the SMILES notation for 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline?
The canonical SMILES for 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline is C#Cc1ccc(N(C(=C)C)C(=C)C)cc1.
What is the InChIKey of 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline?
The InChIKey is AQIJBXWRAWDZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-6-13-7-9-14(10-8-13)15(11(2)3)12(4)5/h1,7-10H,2,4H2,3,5H3.
What are the key properties of 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline?
4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline has a molecular weight of 197.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline is sourced from PubChem (CID 143230772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).