(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine

C14H28N4 — CID 168820017

IUPAC(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine
SMILESCN(C)C/C=C/CN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C14H28N4/c1-14(2,3)15-13-17(6)11-12-18(13)10-8-7-9-16(4)5/h7-8H,9-12H2,1-6H3/b8-7+,15-13-
InChIKeyFCVCZBXKYCARCV-FZICUBIDSA-N
MW252.41 g/mol
LogP1.51
Rot. Bonds4

About (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine

(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine (PubChem CID 168820017) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine
PubChem CID168820017
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine
SMILESCN(C)C/C=C/CN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C14H28N4/c1-14(2,3)15-13-17(6)11-12-18(13)10-8-7-9-16(4)5/h7-8H,9-12H2,1-6H3/b8-7+,15-13-
InChIKeyFCVCZBXKYCARCV-FZICUBIDSA-N
XLogP1.51
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine (CID 168820017) is (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine is CN(C)C/C=C/CN1CCN(C)/C1=N/C(C)(C)C.
What is the InChIKey of (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine?
The InChIKey is FCVCZBXKYCARCV-FZICUBIDSA-N. The full InChI is InChI=1S/C14H28N4/c1-14(2,3)15-13-17(6)11-12-18(13)10-8-7-9-16(4)5/h7-8H,9-12H2,1-6H3/b8-7+,15-13-.
What are the key properties of (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine?
(E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine has a molecular weight of 252.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 168820017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).