(Z)-but-2-en-1-amine;ethane;toluene

C13H23N — CID 145000910

IUPAC(Z)-but-2-en-1-amine;ethane;toluene
SMILESC/C=C\CN.CC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9N.C2H6/c1-7-5-3-2-4-6-7;1-2-3-4-5;1-2/h2-6H,1H3;2-3H,4-5H2,1H3;1-2H3/b;3-2-;
InChIKeyYBJYHPWLWAMUES-PMOSZIESSA-N
MW193.33 g/mol
LogP3.54
Rot. Bonds1

About (Z)-but-2-en-1-amine;ethane;toluene

(Z)-but-2-en-1-amine;ethane;toluene (PubChem CID 145000910) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (Z)-but-2-en-1-amine;ethane;toluene.

Molecular Properties

Compound Name(Z)-but-2-en-1-amine;ethane;toluene
PubChem CID145000910
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(Z)-but-2-en-1-amine;ethane;toluene
SMILESC/C=C\CN.CC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9N.C2H6/c1-7-5-3-2-4-6-7;1-2-3-4-5;1-2/h2-6H,1H3;2-3H,4-5H2,1H3;1-2H3/b;3-2-;
InChIKeyYBJYHPWLWAMUES-PMOSZIESSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-en-1-amine;ethane;toluene?
The IUPAC name of (Z)-but-2-en-1-amine;ethane;toluene (CID 145000910) is (Z)-but-2-en-1-amine;ethane;toluene.
What is the SMILES notation for (Z)-but-2-en-1-amine;ethane;toluene?
The canonical SMILES for (Z)-but-2-en-1-amine;ethane;toluene is C/C=C\CN.CC.Cc1ccccc1.
What is the InChIKey of (Z)-but-2-en-1-amine;ethane;toluene?
The InChIKey is YBJYHPWLWAMUES-PMOSZIESSA-N. The full InChI is InChI=1S/C7H8.C4H9N.C2H6/c1-7-5-3-2-4-6-7;1-2-3-4-5;1-2/h2-6H,1H3;2-3H,4-5H2,1H3;1-2H3/b;3-2-;.
What are the key properties of (Z)-but-2-en-1-amine;ethane;toluene?
(Z)-but-2-en-1-amine;ethane;toluene has a molecular weight of 193.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-en-1-amine;ethane;toluene is sourced from PubChem (CID 145000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).