(1S)-1-(1H-imidazol-5-yl)propan-1-amine

C6H11N3 — CID 68653540

IUPAC(1S)-1-(1H-imidazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-2-5(7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyOEPOFONZJQGAQF-YFKPBYRVSA-N
MW125.17 g/mol
LogP0.82
Rot. Bonds2

About (1S)-1-(1H-imidazol-5-yl)propan-1-amine

(1S)-1-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 68653540) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S)-1-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-imidazol-5-yl)propan-1-amine
PubChem CID68653540
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1S)-1-(1H-imidazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-2-5(7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyOEPOFONZJQGAQF-YFKPBYRVSA-N
XLogP0.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
5-octan-3-yl-1H-imidazole
CID 57097336
5-nonan-3-yl-1H-imidazole
CID 155076171
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1H-imidazol-5-yl)propan-1-amine (CID 68653540) is (1S)-1-(1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1H-imidazol-5-yl)propan-1-amine is CC[C@H](N)c1cnc[nH]1.
What is the InChIKey of (1S)-1-(1H-imidazol-5-yl)propan-1-amine?
The InChIKey is OEPOFONZJQGAQF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-5(7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (1S)-1-(1H-imidazol-5-yl)propan-1-amine?
(1S)-1-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 68653540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).