N-(1H-imidazol-2-ylmethyl)-N-methylethanamine

C7H13N3 — CID 55285283

IUPACN-(1H-imidazol-2-ylmethyl)-N-methylethanamine
SMILESCCN(C)Cc1ncc[nH]1
InChIInChI=1S/C7H13N3/c1-3-10(2)6-7-8-4-5-9-7/h4-5H,3,6H2,1-2H3,(H,8,9)
InChIKeyUARSHHSNAUZJAO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methylethanamine

N-(1H-imidazol-2-ylmethyl)-N-methylethanamine (PubChem CID 55285283) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methylethanamine
PubChem CID55285283
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methylethanamine
SMILESCCN(C)Cc1ncc[nH]1
InChIInChI=1S/C7H13N3/c1-3-10(2)6-7-8-4-5-9-7/h4-5H,3,6H2,1-2H3,(H,8,9)
InChIKeyUARSHHSNAUZJAO-UHFFFAOYSA-N
XLogP0.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 176673035
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
CID 50955176
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519075
2-ethyl-1H-imidazole;methanol
CID 176573862
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline
CID 59708985
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
CID 56918228

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylethanamine (CID 55285283) is N-(1H-imidazol-2-ylmethyl)-N-methylethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methylethanamine is CCN(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The InChIKey is UARSHHSNAUZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10(2)6-7-8-4-5-9-7/h4-5H,3,6H2,1-2H3,(H,8,9).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 55285283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).