N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide

C14H27N3 — CID 164597835

IUPACN-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide
SMILESC=CC/C(=N\C/C=C\CC)N(CC)CCNC
InChIInChI=1S/C14H27N3/c1-5-8-9-11-16-14(10-6-2)17(7-3)13-12-15-4/h6,8-9,15H,2,5,7,10-13H2,1,3-4H3/b9-8-,16-14+
InChIKeyFDMURMDQJOQACM-ZMPHJAQOSA-N
MW237.39 g/mol
LogP2.47
Rot. Bonds9

About N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide

N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide (PubChem CID 164597835) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide
PubChem CID164597835
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide
SMILESC=CC/C(=N\C/C=C\CC)N(CC)CCNC
InChIInChI=1S/C14H27N3/c1-5-8-9-11-16-14(10-6-2)17(7-3)13-12-15-4/h6,8-9,15H,2,5,7,10-13H2,1,3-4H3/b9-8-,16-14+
InChIKeyFDMURMDQJOQACM-ZMPHJAQOSA-N
XLogP2.47
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.47
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide (CID 164597835) is N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide is C=CC/C(=N\C/C=C\CC)N(CC)CCNC.
What is the InChIKey of N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide?
The InChIKey is FDMURMDQJOQACM-ZMPHJAQOSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-11-16-14(10-6-2)17(7-3)13-12-15-4/h6,8-9,15H,2,5,7,10-13H2,1,3-4H3/b9-8-,16-14+.
What are the key properties of N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide?
N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide is sourced from PubChem (CID 164597835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).