N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide

C10H18N4O — CID 104942230

IUPACN-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
SMILESCC[C@@H](N)c1cncn1CCNC(C)=O
InChIInChI=1S/C10H18N4O/c1-3-9(11)10-6-12-7-14(10)5-4-13-8(2)15/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyDAADZMHQLBSYKE-SECBINFHSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds5

About N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide

N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide (PubChem CID 104942230) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
PubChem CID104942230
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
SMILESCC[C@@H](N)c1cncn1CCNC(C)=O
InChIInChI=1S/C10H18N4O/c1-3-9(11)10-6-12-7-14(10)5-4-13-8(2)15/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyDAADZMHQLBSYKE-SECBINFHSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide (CID 104942230) is N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide is CC[C@@H](N)c1cncn1CCNC(C)=O.
What is the InChIKey of N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide?
The InChIKey is DAADZMHQLBSYKE-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9(11)10-6-12-7-14(10)5-4-13-8(2)15/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide?
N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 104942230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).