(2-ethylimidazol-1-yl)methanamine

C6H11N3 — CID 122501271

IUPAC(2-ethylimidazol-1-yl)methanamine
SMILESCCc1nccn1CN
InChIInChI=1S/C6H11N3/c1-2-6-8-3-4-9(6)5-7/h3-4H,2,5,7H2,1H3
InChIKeyKVJSSLAVVWTXRR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.36
Rot. Bonds2

About (2-ethylimidazol-1-yl)methanamine

(2-ethylimidazol-1-yl)methanamine (PubChem CID 122501271) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2-ethylimidazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-ethylimidazol-1-yl)methanamine
PubChem CID122501271
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2-ethylimidazol-1-yl)methanamine
SMILESCCc1nccn1CN
InChIInChI=1S/C6H11N3/c1-2-6-8-3-4-9(6)5-7/h3-4H,2,5,7H2,1H3
InChIKeyKVJSSLAVVWTXRR-UHFFFAOYSA-N
XLogP0.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hexylimidazol-1-yl)methanamine
CID 141279127
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-ethyl-1-(oxiran-2-ylmethyl)imidazole
CID 61404960
2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 63811626

Frequently Asked Questions

What is the IUPAC name of (2-ethylimidazol-1-yl)methanamine?
The IUPAC name of (2-ethylimidazol-1-yl)methanamine (CID 122501271) is (2-ethylimidazol-1-yl)methanamine.
What is the SMILES notation for (2-ethylimidazol-1-yl)methanamine?
The canonical SMILES for (2-ethylimidazol-1-yl)methanamine is CCc1nccn1CN.
What is the InChIKey of (2-ethylimidazol-1-yl)methanamine?
The InChIKey is KVJSSLAVVWTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-6-8-3-4-9(6)5-7/h3-4H,2,5,7H2,1H3.
What are the key properties of (2-ethylimidazol-1-yl)methanamine?
(2-ethylimidazol-1-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylimidazol-1-yl)methanamine is sourced from PubChem (CID 122501271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).