N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine

C17H31N3 — CID 168819929

IUPACN-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN(C/C=C/CC)C1=NC(C)(C)C
InChIInChI=1S/C17H31N3/c1-6-8-10-12-19-14-15-20(13-11-9-7-2)16(19)18-17(3,4)5/h8-11H,6-7,12-15H2,1-5H3/b10-8+,11-9+
InChIKeyCBQHBTPGJUVSTN-GFULKKFKSA-N
MW277.46 g/mol
LogP3.69
Rot. Bonds6

About N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine

N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 168819929) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
PubChem CID168819929
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN(C/C=C/CC)C1=NC(C)(C)C
InChIInChI=1S/C17H31N3/c1-6-8-10-12-19-14-15-20(13-11-9-7-2)16(19)18-17(3,4)5/h8-11H,6-7,12-15H2,1-5H3/b10-8+,11-9+
InChIKeyCBQHBTPGJUVSTN-GFULKKFKSA-N
XLogP3.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
CID 162358263
N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 163296299
N,1-dimethyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 166858619
N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 166858736
[1,3-bis[(E)-pent-2-enyl]imidazolidin-2-ylidene]-dimethylazanium
CID 168167141
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine
CID 168819910
N-tert-butyl-1-[(4Z,7Z)-deca-4,7-dienyl]-3-methylimidazolidin-2-imine
CID 168819926
N-tert-butyl-1-methyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 168819937
N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine
CID 168819944
N-tert-butyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 168819947
(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine
CID 168820017
N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 168820021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The IUPAC name of N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine (CID 168819929) is N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The canonical SMILES for N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine is CC/C=C/CN1CCN(C/C=C/CC)C1=NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The InChIKey is CBQHBTPGJUVSTN-GFULKKFKSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-8-10-12-19-14-15-20(13-11-9-7-2)16(19)18-17(3,4)5/h8-11H,6-7,12-15H2,1-5H3/b10-8+,11-9+.
What are the key properties of N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 277.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 168819929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).