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

C10H18N4O — CID 64512267

IUPAC2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C10H18N4O/c1-3-8(6-11)10(15)14(2)7-9-12-4-5-13-9/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13)
InChIKeySCJVKTHIIMMRBK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.35
Rot. Bonds5

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

2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (PubChem CID 64512267) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
PubChem CID64512267
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C10H18N4O/c1-3-8(6-11)10(15)14(2)7-9-12-4-5-13-9/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13)
InChIKeySCJVKTHIIMMRBK-UHFFFAOYSA-N
XLogP0.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
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
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519075
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (CID 64512267) is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is CCC(CN)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The InChIKey is SCJVKTHIIMMRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8(6-11)10(15)14(2)7-9-12-4-5-13-9/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 64512267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).