N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H24N4 — CID 120969889

IUPACN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCN1CCCCCC1
InChIInChI=1S/C12H24N4/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16/h2-11H2,1H3,(H,13,14)
InChIKeySSBBQWDBZDSXBD-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.75
Rot. Bonds3

About N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969889) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969889
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCN1CCCCCC1
InChIInChI=1S/C12H24N4/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16/h2-11H2,1H3,(H,13,14)
InChIKeySSBBQWDBZDSXBD-UHFFFAOYSA-N
XLogP0.75
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969889) is N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is SSBBQWDBZDSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16/h2-11H2,1H3,(H,13,14).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).