N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine

C12H24N4 — CID 107501008

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-10(2)11(3)6-14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,4-7,13H2,1-3H3
InChIKeyPJGUCHUYWZBINP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.22
Rot. Bonds7

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine (PubChem CID 107501008) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
PubChem CID107501008
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-10(2)11(3)6-14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,4-7,13H2,1-3H3
InChIKeyPJGUCHUYWZBINP-UHFFFAOYSA-N
XLogP1.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine (CID 107501008) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is PJGUCHUYWZBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)11(3)6-14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,4-7,13H2,1-3H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 107501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).