2-[2-(aminomethyl)imidazol-1-yl]butanamide

C8H14N4O — CID 62900446

IUPAC2-[2-(aminomethyl)imidazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1ccnc1CN
InChIInChI=1S/C8H14N4O/c1-2-6(8(10)13)12-4-3-11-7(12)5-9/h3-4,6H,2,5,9H2,1H3,(H2,10,13)
InChIKeyWTPYLNWDFWMNOW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.22
Rot. Bonds4

About 2-[2-(aminomethyl)imidazol-1-yl]butanamide

2-[2-(aminomethyl)imidazol-1-yl]butanamide (PubChem CID 62900446) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[2-(aminomethyl)imidazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)imidazol-1-yl]butanamide
PubChem CID62900446
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[2-(aminomethyl)imidazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1ccnc1CN
InChIInChI=1S/C8H14N4O/c1-2-6(8(10)13)12-4-3-11-7(12)5-9/h3-4,6H,2,5,9H2,1H3,(H2,10,13)
InChIKeyWTPYLNWDFWMNOW-UHFFFAOYSA-N
XLogP-0.22
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanoic acid
CID 66403064
2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
CID 165475254
(1-tert-butylimidazol-2-yl)methanamine
CID 55268001
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
2-(2-heptadecylimidazol-1-yl)butanedioic acid
CID 71319367
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide
CID 82558306
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
CID 62901797
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)butanamide
CID 130674428
3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 62223381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]butanamide?
The IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]butanamide (CID 62900446) is 2-[2-(aminomethyl)imidazol-1-yl]butanamide.
What is the SMILES notation for 2-[2-(aminomethyl)imidazol-1-yl]butanamide?
The canonical SMILES for 2-[2-(aminomethyl)imidazol-1-yl]butanamide is CCC(C(N)=O)n1ccnc1CN.
What is the InChIKey of 2-[2-(aminomethyl)imidazol-1-yl]butanamide?
The InChIKey is WTPYLNWDFWMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-6(8(10)13)12-4-3-11-7(12)5-9/h3-4,6H,2,5,9H2,1H3,(H2,10,13).
What are the key properties of 2-[2-(aminomethyl)imidazol-1-yl]butanamide?
2-[2-(aminomethyl)imidazol-1-yl]butanamide has a molecular weight of 182.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)imidazol-1-yl]butanamide is sourced from PubChem (CID 62900446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).