2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine

C9H17N3 — CID 82236116

IUPAC2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(CCN)nc1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)9-7(3)11-8(12-9)4-5-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyVVHOYSRKJLDXJK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine

2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine (PubChem CID 82236116) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
PubChem CID82236116
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(CCN)nc1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)9-7(3)11-8(12-9)4-5-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyVVHOYSRKJLDXJK-UHFFFAOYSA-N
XLogP1.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methanol
CID 105430142
N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 114997302
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
5-methyl-2,4-di(propan-2-yl)-1H-imidazole
CID 66803864
[4,5-di(propan-2-yl)-1H-imidazol-2-yl]methanamine
CID 105439692
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 82236115
1-(5-methyl-2-nonyl-1H-imidazol-4-yl)propan-1-amine
CID 141279115
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine
CID 141279090
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine (CID 82236116) is 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine is Cc1[nH]c(CCN)nc1C(C)C.
What is the InChIKey of 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine?
The InChIKey is VVHOYSRKJLDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)9-7(3)11-8(12-9)4-5-10/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine?
2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 82236116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).