N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

C13H24N4 — CID 114720542

IUPACN-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCn1cncc1CCN)C1CCCC1
InChIInChI=1S/C13H24N4/c1-16(12-4-2-3-5-12)8-9-17-11-15-10-13(17)6-7-14/h10-12H,2-9,14H2,1H3
InChIKeyQNQWZMMHCLNSGI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.26
Rot. Bonds6

About N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (PubChem CID 114720542) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
PubChem CID114720542
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCn1cncc1CCN)C1CCCC1
InChIInChI=1S/C13H24N4/c1-16(12-4-2-3-5-12)8-9-17-11-15-10-13(17)6-7-14/h10-12H,2-9,14H2,1H3
InChIKeyQNQWZMMHCLNSGI-UHFFFAOYSA-N
XLogP1.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (CID 114720542) is N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is CN(CCn1cncc1CCN)C1CCCC1.
What is the InChIKey of N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The InChIKey is QNQWZMMHCLNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(12-4-2-3-5-12)8-9-17-11-15-10-13(17)6-7-14/h10-12H,2-9,14H2,1H3.
What are the key properties of N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine has a molecular weight of 236.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 114720542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).