(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

C9H17N3 — CID 28794327

IUPAC(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCC(C)c1nccn1C[C@H](C)N
InChIInChI=1S/C9H17N3/c1-7(2)9-11-4-5-12(9)6-8(3)10/h4-5,7-8H,6,10H2,1-3H3/t8-/m0/s1
InChIKeyPAXARLCEQXZUFX-QMMMGPOBSA-N
MW167.26 g/mol
LogP1.35
Rot. Bonds3

About (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (PubChem CID 28794327) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
PubChem CID28794327
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCC(C)c1nccn1C[C@H](C)N
InChIInChI=1S/C9H17N3/c1-7(2)9-11-4-5-12(9)6-8(3)10/h4-5,7-8H,6,10H2,1-3H3/t8-/m0/s1
InChIKeyPAXARLCEQXZUFX-QMMMGPOBSA-N
XLogP1.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
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CID 43211502
1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 61308181
1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 43211507
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
1-butyl-2-propan-2-ylimidazole
CID 11506521
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618
N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 107506086
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine
CID 103482299

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (CID 28794327) is (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is CC(C)c1nccn1C[C@H](C)N.
What is the InChIKey of (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The InChIKey is PAXARLCEQXZUFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)9-11-4-5-12(9)6-8(3)10/h4-5,7-8H,6,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 28794327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).