(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine

C10H15N3 — CID 104943939

IUPAC(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
SMILESCC#CCCn1cncc1[C@@H](C)N
InChIInChI=1S/C10H15N3/c1-3-4-5-6-13-8-12-7-10(13)9(2)11/h7-9H,5-6,11H2,1-2H3/t9-/m1/s1
InChIKeyLKOFQGCBAPXWTP-SECBINFHSA-N
MW177.25 g/mol
LogP1.32
Rot. Bonds3

About (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine

(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine (PubChem CID 104943939) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
PubChem CID104943939
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
SMILESCC#CCCn1cncc1[C@@H](C)N
InChIInChI=1S/C10H15N3/c1-3-4-5-6-13-8-12-7-10(13)9(2)11/h7-9H,5-6,11H2,1-2H3/t9-/m1/s1
InChIKeyLKOFQGCBAPXWTP-SECBINFHSA-N
XLogP1.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
CID 106212066
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
5-bromo-3-pent-3-ynylpyrimidin-4-one
CID 104745910
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine?
The IUPAC name of (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine (CID 104943939) is (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine is CC#CCCn1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine?
The InChIKey is LKOFQGCBAPXWTP-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-6-13-8-12-7-10(13)9(2)11/h7-9H,5-6,11H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine?
(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine is sourced from PubChem (CID 104943939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).