2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

C9H16N4O — CID 64517492

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-3-7(10)9(14)13(2)6-8-11-4-5-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12)
InChIKeyQMLMKIHBHDPXKI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.11
Rot. Bonds4

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (PubChem CID 64517492) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
PubChem CID64517492
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-3-7(10)9(14)13(2)6-8-11-4-5-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12)
InChIKeyQMLMKIHBHDPXKI-UHFFFAOYSA-N
XLogP0.11
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64512267
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
CID 65291202
(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519075

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (CID 64517492) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is CCC(N)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The InChIKey is QMLMKIHBHDPXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7(10)9(14)13(2)6-8-11-4-5-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide has a molecular weight of 196.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 64517492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).