1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine

C13H23N3 — CID 170237194

IUPAC1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(/C(C)=N/C=C\CC)CC1
InChIInChI=1S/C13H23N3/c1-4-5-8-15-12(3)16-9-6-13(7-10-16)11(2)14/h5,8,13H,2,4,6-7,9-10,14H2,1,3H3/b8-5-,15-12+
InChIKeyPIAOTTZKNMJIIM-KYRQRRJPSA-N
MW221.35 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine

1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine (PubChem CID 170237194) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine
PubChem CID170237194
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(/C(C)=N/C=C\CC)CC1
InChIInChI=1S/C13H23N3/c1-4-5-8-15-12(3)16-9-6-13(7-10-16)11(2)14/h5,8,13H,2,4,6-7,9-10,14H2,1,3H3/b8-5-,15-12+
InChIKeyPIAOTTZKNMJIIM-KYRQRRJPSA-N
XLogP2.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine (CID 170237194) is 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine is C=C(N)C1CCN(/C(C)=N/C=C\CC)CC1.
What is the InChIKey of 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine?
The InChIKey is PIAOTTZKNMJIIM-KYRQRRJPSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-5-8-15-12(3)16-9-6-13(7-10-16)11(2)14/h5,8,13H,2,4,6-7,9-10,14H2,1,3H3/b8-5-,15-12+.
What are the key properties of 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine?
1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine has a molecular weight of 221.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[N-[(Z)-but-1-enyl]-C-methylcarbonimidoyl]piperidin-4-yl]ethenamine is sourced from PubChem (CID 170237194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).