1-(1-methylimidazol-2-yl)hex-4-yn-1-amine

C10H15N3 — CID 104807136

IUPAC1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1nccn1C
InChIInChI=1S/C10H15N3/c1-3-4-5-6-9(11)10-12-7-8-13(10)2/h7-9H,5-6,11H2,1-2H3
InChIKeyVTCUDTHJKYZWED-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.22
Rot. Bonds3

About 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine

1-(1-methylimidazol-2-yl)hex-4-yn-1-amine (PubChem CID 104807136) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
PubChem CID104807136
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1nccn1C
InChIInChI=1S/C10H15N3/c1-3-4-5-6-9(11)10-12-7-8-13(10)2/h7-9H,5-6,11H2,1-2H3
InChIKeyVTCUDTHJKYZWED-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-pent-3-ynyl-2-propan-2-ylimidazole
CID 104743992
1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105149668
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181412
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
CID 172745142
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326
1-methyl-2-pent-3-ynylsulfanylimidazole
CID 130645056

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine (CID 104807136) is 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine is CC#CCCC(N)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine?
The InChIKey is VTCUDTHJKYZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-6-9(11)10-12-7-8-13(10)2/h7-9H,5-6,11H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine?
1-(1-methylimidazol-2-yl)hex-4-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)hex-4-yn-1-amine is sourced from PubChem (CID 104807136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).