2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine

C10H15N3 — CID 79738719

IUPAC2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
SMILESCn1ccnc1CC#CC(C)(C)N
InChIInChI=1S/C10H15N3/c1-10(2,11)6-4-5-9-12-7-8-13(9)3/h7-8H,5,11H2,1-3H3
InChIKeyNWFGLHOXFJXYLM-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine

2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine (PubChem CID 79738719) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
PubChem CID79738719
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
SMILESCn1ccnc1CC#CC(C)(C)N
InChIInChI=1S/C10H15N3/c1-10(2,11)6-4-5-9-12-7-8-13(9)3/h7-8H,5,11H2,1-3H3
InChIKeyNWFGLHOXFJXYLM-UHFFFAOYSA-N
XLogP0.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.70
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

2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529358
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79762264
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine?
The IUPAC name of 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine (CID 79738719) is 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine.
What is the SMILES notation for 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine?
The canonical SMILES for 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine is Cn1ccnc1CC#CC(C)(C)N.
What is the InChIKey of 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine?
The InChIKey is NWFGLHOXFJXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,11)6-4-5-9-12-7-8-13(9)3/h7-8H,5,11H2,1-3H3.
What are the key properties of 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine?
2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine has a molecular weight of 177.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine is sourced from PubChem (CID 79738719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).