N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine

C14H27N3 — CID 177282367

IUPACN-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine
SMILESCC/C=C/CCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-7-8-9-10-17-12-11-16(5)13(17)15-14(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7+,15-13-
InChIKeyCJMACLOSDQEJOE-FZICUBIDSA-N
MW237.39 g/mol
LogP2.74
Rot. Bonds4

About N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine

N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine (PubChem CID 177282367) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine
PubChem CID177282367
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine
SMILESCC/C=C/CCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-7-8-9-10-17-12-11-16(5)13(17)15-14(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7+,15-13-
InChIKeyCJMACLOSDQEJOE-FZICUBIDSA-N
XLogP2.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.74
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
1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine
CID 163296340
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-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
CID 168819929
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine?
The IUPAC name of N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine (CID 177282367) is N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine.
What is the SMILES notation for N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine?
The canonical SMILES for N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine is CC/C=C/CCN1CCN(C)/C1=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine?
The InChIKey is CJMACLOSDQEJOE-FZICUBIDSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-7-8-9-10-17-12-11-16(5)13(17)15-14(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7+,15-13-.
What are the key properties of N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine?
N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine has a molecular weight of 237.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine is sourced from PubChem (CID 177282367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).