1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine

C14H26N4 — CID 91352250

IUPAC1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
SMILESCC(C)=CCN1CC(C)N=C1N1CCCC(N)C1
InChIInChI=1S/C14H26N4/c1-11(2)6-8-18-9-12(3)16-14(18)17-7-4-5-13(15)10-17/h6,12-13H,4-5,7-10,15H2,1-3H3
InChIKeyIFDFMWFRONQEFG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.44
Rot. Bonds2

About 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine

1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine (PubChem CID 91352250) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
PubChem CID91352250
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
SMILESCC(C)=CCN1CC(C)N=C1N1CCCC(N)C1
InChIInChI=1S/C14H26N4/c1-11(2)6-8-18-9-12(3)16-14(18)17-7-4-5-13(15)10-17/h6,12-13H,4-5,7-10,15H2,1-3H3
InChIKeyIFDFMWFRONQEFG-UHFFFAOYSA-N
XLogP1.44
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 100673187
2-(2-Methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032431
2-(2-Methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine
CID 110032432
2-[2-(4-Methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine
CID 110916752
2-Methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980230
2-Methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110980231
1-Ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980232
1-Ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110980233
2-Methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980242
2-Methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110980243

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine?
The IUPAC name of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine (CID 91352250) is 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine is CC(C)=CCN1CC(C)N=C1N1CCCC(N)C1.
What is the InChIKey of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine?
The InChIKey is IFDFMWFRONQEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)6-8-18-9-12(3)16-14(18)17-7-4-5-13(15)10-17/h6,12-13H,4-5,7-10,15H2,1-3H3.
What are the key properties of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine?
1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine is sourced from PubChem (CID 91352250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).