1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine

C11H18N4 — CID 139772456

IUPAC1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine
SMILESNCCN1CCN=C1C1(N)C=CC=CC1
InChIInChI=1S/C11H18N4/c12-6-8-15-9-7-14-10(15)11(13)4-2-1-3-5-11/h1-4H,5-9,12-13H2
InChIKeyREWBUWCNRQTJHE-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.13
Rot. Bonds3

About 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine

1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 139772456) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine
PubChem CID139772456
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine
SMILESNCCN1CCN=C1C1(N)C=CC=CC1
InChIInChI=1S/C11H18N4/c12-6-8-15-9-7-14-10(15)11(13)4-2-1-3-5-11/h1-4H,5-9,12-13H2
InChIKeyREWBUWCNRQTJHE-UHFFFAOYSA-N
XLogP-0.13
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine (CID 139772456) is 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine is NCCN1CCN=C1C1(N)C=CC=CC1.
What is the InChIKey of 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is REWBUWCNRQTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-6-8-15-9-7-14-10(15)11(13)4-2-1-3-5-11/h1-4H,5-9,12-13H2.
What are the key properties of 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine?
1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 206.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139772456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).