(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane

C14H29N3 — CID 168880184

IUPAC(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane
SMILESCC.CC(C)/C(N)=C/C1=NCCN1C(C)(C)C
InChIInChI=1S/C12H23N3.C2H6/c1-9(2)10(13)8-11-14-6-7-15(11)12(3,4)5;1-2/h8-9H,6-7,13H2,1-5H3;1-2H3/b10-8-;
InChIKeySECIWINRPVSHEL-DQMXGCRQSA-N
MW239.41 g/mol
LogP3.02
Rot. Bonds2

About (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane

(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane (PubChem CID 168880184) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane
PubChem CID168880184
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane
SMILESCC.CC(C)/C(N)=C/C1=NCCN1C(C)(C)C
InChIInChI=1S/C12H23N3.C2H6/c1-9(2)10(13)8-11-14-6-7-15(11)12(3,4)5;1-2/h8-9H,6-7,13H2,1-5H3;1-2H3/b10-8-;
InChIKeySECIWINRPVSHEL-DQMXGCRQSA-N
XLogP3.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5E)-5-ethylidene-1,2,4,4-tetramethylimidazole
CID 137427466
2-methyl-1-[(E)-5-methylhex-2-en-2-yl]-4,5-dihydroimidazole
CID 142973876
(5E)-2-methyl-1-propan-2-yl-5-propylidene-4H-imidazole
CID 154967867
(5E)-5-[(Z)-2,4-dimethylpent-2-enylidene]-2-methyl-1,4-dihydroimidazole
CID 163755521
(3S)-1-[C-(2-amino-3-methylbut-1-enyl)-N-methylcarbonimidoyl]pyrrolidin-3-amine
CID 173510971
(E)-1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-N,N,3,3-tetramethylbut-1-en-2-amine
CID 134873524
(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine
CID 168880185

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane (CID 168880184) is (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane is CC.CC(C)/C(N)=C/C1=NCCN1C(C)(C)C.
What is the InChIKey of (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane?
The InChIKey is SECIWINRPVSHEL-DQMXGCRQSA-N. The full InChI is InChI=1S/C12H23N3.C2H6/c1-9(2)10(13)8-11-14-6-7-15(11)12(3,4)5;1-2/h8-9H,6-7,13H2,1-5H3;1-2H3/b10-8-;.
What are the key properties of (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane?
(Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane has a molecular weight of 239.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-tert-butyl-4,5-dihydroimidazol-2-yl)-3-methylbut-1-en-2-amine;ethane is sourced from PubChem (CID 168880184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).