N-[(Z)-but-1-enyl]-4-ethylaniline

C12H17N — CID 174334324

IUPACN-[(Z)-but-1-enyl]-4-ethylaniline
SMILESCC/C=C\Nc1ccc(CC)cc1
InChIInChI=1S/C12H17N/c1-3-5-10-13-12-8-6-11(4-2)7-9-12/h5-10,13H,3-4H2,1-2H3/b10-5-
InChIKeyLKBQDXSPRWZPIS-YHYXMXQVSA-N
MW175.27 g/mol
LogP3.58
Rot. Bonds4

About N-[(Z)-but-1-enyl]-4-ethylaniline

N-[(Z)-but-1-enyl]-4-ethylaniline (PubChem CID 174334324) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-4-ethylaniline
PubChem CID174334324
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[(Z)-but-1-enyl]-4-ethylaniline
SMILESCC/C=C\Nc1ccc(CC)cc1
InChIInChI=1S/C12H17N/c1-3-5-10-13-12-8-6-11(4-2)7-9-12/h5-10,13H,3-4H2,1-2H3/b10-5-
InChIKeyLKBQDXSPRWZPIS-YHYXMXQVSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-4-ethylaniline?
The IUPAC name of N-[(Z)-but-1-enyl]-4-ethylaniline (CID 174334324) is N-[(Z)-but-1-enyl]-4-ethylaniline.
What is the SMILES notation for N-[(Z)-but-1-enyl]-4-ethylaniline?
The canonical SMILES for N-[(Z)-but-1-enyl]-4-ethylaniline is CC/C=C\Nc1ccc(CC)cc1.
What is the InChIKey of N-[(Z)-but-1-enyl]-4-ethylaniline?
The InChIKey is LKBQDXSPRWZPIS-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H17N/c1-3-5-10-13-12-8-6-11(4-2)7-9-12/h5-10,13H,3-4H2,1-2H3/b10-5-.
What are the key properties of N-[(Z)-but-1-enyl]-4-ethylaniline?
N-[(Z)-but-1-enyl]-4-ethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-4-ethylaniline is sourced from PubChem (CID 174334324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).