N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide

C23H39N3 — CID 174259988

IUPACN-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide
SMILESCCC/N=C(/C1CC=CCC1)N(CC)C/C=C/C=N/CC/C=C\C(C)C
InChIInChI=1S/C23H39N3/c1-5-17-25-23(22-15-8-7-9-16-22)26(6-2)20-13-12-19-24-18-11-10-14-21(3)4/h7-8,10,12-14,19,21-22H,5-6,9,11,15-18,20H2,1-4H3/b13-12+,14-10-,24-19+,25-23-
InChIKeyANQBZJLPIKTMOJ-NRMGHZDMSA-N
MW357.59 g/mol
LogP5.70
Rot. Bonds11

About N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide

N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide (PubChem CID 174259988) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide
PubChem CID174259988
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC NameN-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide
SMILESCCC/N=C(/C1CC=CCC1)N(CC)C/C=C/C=N/CC/C=C\C(C)C
InChIInChI=1S/C23H39N3/c1-5-17-25-23(22-15-8-7-9-16-22)26(6-2)20-13-12-19-24-18-11-10-14-21(3)4/h7-8,10,12-14,19,21-22H,5-6,9,11,15-18,20H2,1-4H3/b13-12+,14-10-,24-19+,25-23-
InChIKeyANQBZJLPIKTMOJ-NRMGHZDMSA-N
XLogP5.70
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide?
The IUPAC name of N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide (CID 174259988) is N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide.
What is the SMILES notation for N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide?
The canonical SMILES for N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide is CCC/N=C(/C1CC=CCC1)N(CC)C/C=C/C=N/CC/C=C\C(C)C.
What is the InChIKey of N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide?
The InChIKey is ANQBZJLPIKTMOJ-NRMGHZDMSA-N. The full InChI is InChI=1S/C23H39N3/c1-5-17-25-23(22-15-8-7-9-16-22)26(6-2)20-13-12-19-24-18-11-10-14-21(3)4/h7-8,10,12-14,19,21-22H,5-6,9,11,15-18,20H2,1-4H3/b13-12+,14-10-,24-19+,25-23-.
What are the key properties of N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide?
N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide has a molecular weight of 357.59 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-4-[(Z)-5-methylhex-3-enyl]iminobut-2-enyl]-N'-propylcyclohex-3-ene-1-carboximidamide is sourced from PubChem (CID 174259988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).