2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

C9H16N4O — CID 66146106

IUPAC2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc1CN
InChIInChI=1S/C9H16N4O/c1-7(2)12-9(14)5-13-6-11-4-8(13)3-10/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyXISSCYPYLXTZHM-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds4

About 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66146106) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID66146106
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc1CN
InChIInChI=1S/C9H16N4O/c1-7(2)12-9(14)5-13-6-11-4-8(13)3-10/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyXISSCYPYLXTZHM-UHFFFAOYSA-N
XLogP-0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 66146106) is 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cncc1CN.
What is the InChIKey of 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XISSCYPYLXTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)12-9(14)5-13-6-11-4-8(13)3-10/h4,6-7H,3,5,10H2,1-2H3,(H,12,14).
What are the key properties of 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).