2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine

C12H19N — CID 131995510

IUPAC2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine
SMILESC=C/C=C\C1=C(C)CCC1N(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-11-10(2)8-9-12(11)13(3)4/h5-7,12H,1,8-9H2,2-4H3/b7-6-
InChIKeyLSECYCWFEQDUEV-SREVYHEPSA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds3

About 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine

2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine (PubChem CID 131995510) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine
PubChem CID131995510
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine
SMILESC=C/C=C\C1=C(C)CCC1N(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-11-10(2)8-9-12(11)13(3)4/h5-7,12H,1,8-9H2,2-4H3/b7-6-
InChIKeyLSECYCWFEQDUEV-SREVYHEPSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine (CID 131995510) is 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine is C=C/C=C\C1=C(C)CCC1N(C)C.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine?
The InChIKey is LSECYCWFEQDUEV-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-7-11-10(2)8-9-12(11)13(3)4/h5-7,12H,1,8-9H2,2-4H3/b7-6-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine?
2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine is sourced from PubChem (CID 131995510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).