4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline

C12H17N — CID 89066193

IUPAC4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline
SMILESCc1ccc(N/C=C\C(C)C)cc1
InChIInChI=1S/C12H17N/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-10,13H,1-3H3/b9-8-
InChIKeyLWDQJBFZWOOEJV-HJWRWDBZSA-N
MW175.28 g/mol
LogP3.58
Rot. Bonds3

About 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline

4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline (PubChem CID 89066193) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline
PubChem CID89066193
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline
SMILESCc1ccc(N/C=C\C(C)C)cc1
InChIInChI=1S/C12H17N/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-10,13H,1-3H3/b9-8-
InChIKeyLWDQJBFZWOOEJV-HJWRWDBZSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline?
The IUPAC name of 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline (CID 89066193) is 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline.
What is the SMILES notation for 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline?
The canonical SMILES for 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline is Cc1ccc(N/C=C\C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline?
The InChIKey is LWDQJBFZWOOEJV-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-10,13H,1-3H3/b9-8-.
What are the key properties of 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline?
4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline has a molecular weight of 175.28 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 4-methyl-N-[(Z)-3-methylbut-1-enyl]aniline is sourced from PubChem (CID 89066193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).