N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine

C18H33N3 — CID 168819910

IUPACN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine
SMILESCCC/C=C/C=C/CCCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-7-8-9-10-11-12-13-14-21-16-15-20(5)17(21)19-18(2,3)4/h8-11H,6-7,12-16H2,1-5H3/b9-8+,11-10+,19-17-
InChIKeyOGZKVLDAMVPMDA-RXDPAWGVSA-N
MW291.48 g/mol
LogP4.08
Rot. Bonds7

About N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine

N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine (PubChem CID 168819910) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine
PubChem CID168819910
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine
SMILESCCC/C=C/C=C/CCCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-7-8-9-10-11-12-13-14-21-16-15-20(5)17(21)19-18(2,3)4/h8-11H,6-7,12-16H2,1-5H3/b9-8+,11-10+,19-17-
InChIKeyOGZKVLDAMVPMDA-RXDPAWGVSA-N
XLogP4.08
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine?
The IUPAC name of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine (CID 168819910) is N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine.
What is the SMILES notation for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine?
The canonical SMILES for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine is CCC/C=C/C=C/CCCN1CCN(C)/C1=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine?
The InChIKey is OGZKVLDAMVPMDA-RXDPAWGVSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-7-8-9-10-11-12-13-14-21-16-15-20(5)17(21)19-18(2,3)4/h8-11H,6-7,12-16H2,1-5H3/b9-8+,11-10+,19-17-.
What are the key properties of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine?
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine has a molecular weight of 291.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine is sourced from PubChem (CID 168819910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).