2-(1-methyl-2-propylimidazol-4-yl)ethanamine

C9H17N3 — CID 82279407

IUPAC2-(1-methyl-2-propylimidazol-4-yl)ethanamine
SMILESCCCc1nc(CCN)cn1C
InChIInChI=1S/C9H17N3/c1-3-4-9-11-8(5-6-10)7-12(9)2/h7H,3-6,10H2,1-2H3
InChIKeyDTIFDHMPHJVKDN-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds4

About 2-(1-methyl-2-propylimidazol-4-yl)ethanamine

2-(1-methyl-2-propylimidazol-4-yl)ethanamine (PubChem CID 82279407) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(1-methyl-2-propylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-2-propylimidazol-4-yl)ethanamine
PubChem CID82279407
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(1-methyl-2-propylimidazol-4-yl)ethanamine
SMILESCCCc1nc(CCN)cn1C
InChIInChI=1S/C9H17N3/c1-3-4-9-11-8(5-6-10)7-12(9)2/h7H,3-6,10H2,1-2H3
InChIKeyDTIFDHMPHJVKDN-UHFFFAOYSA-N
XLogP0.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-didecyl-1-methylimidazole
CID 68813551
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535
2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
CID 82284703
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95469453
1-[2-(2-ethyl-1-methylimidazol-4-yl)ethyl]cyclopropan-1-amine
CID 105447644
2-[1-methyl-2-(2-methylphenyl)imidazol-4-yl]ethanamine
CID 82284699
4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole
CID 122463115
2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole
CID 69392771
2-decyl-1-methyl-4-(3-phenylpropyl)imidazole
CID 69396106
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-propylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-methyl-2-propylimidazol-4-yl)ethanamine (CID 82279407) is 2-(1-methyl-2-propylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-2-propylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-2-propylimidazol-4-yl)ethanamine is CCCc1nc(CCN)cn1C.
What is the InChIKey of 2-(1-methyl-2-propylimidazol-4-yl)ethanamine?
The InChIKey is DTIFDHMPHJVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-9-11-8(5-6-10)7-12(9)2/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-(1-methyl-2-propylimidazol-4-yl)ethanamine?
2-(1-methyl-2-propylimidazol-4-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-propylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82279407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).