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

C12H24N4 — CID 107500690

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-4-12(5-2)15(3)8-11-9-16(7-6-13)10-14-11/h9-10,12H,4-8,13H2,1-3H3
InChIKeyMZESCBQXUHJORK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.46
Rot. Bonds7

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

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine (PubChem CID 107500690) 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]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
PubChem CID107500690
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-4-12(5-2)15(3)8-11-9-16(7-6-13)10-14-11/h9-10,12H,4-8,13H2,1-3H3
InChIKeyMZESCBQXUHJORK-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
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]-N-methylpentan-3-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine (CID 107500690) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine is CCC(CC)N(C)Cc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine?
The InChIKey is MZESCBQXUHJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-12(5-2)15(3)8-11-9-16(7-6-13)10-14-11/h9-10,12H,4-8,13H2,1-3H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 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]-N-methylpentan-3-amine is sourced from PubChem (CID 107500690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).