N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine

C12H19N3 — CID 114708442

IUPACN-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
SMILESC#CCC(C)n1cncc1C(C)(C)NC
InChIInChI=1S/C12H19N3/c1-6-7-10(2)15-9-14-8-11(15)12(3,4)13-5/h1,8-10,13H,7H2,2-5H3
InChIKeyYJXUOYHJGIDQOW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine

N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine (PubChem CID 114708442) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
PubChem CID114708442
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
SMILESC#CCC(C)n1cncc1C(C)(C)NC
InChIInChI=1S/C12H19N3/c1-6-7-10(2)15-9-14-8-11(15)12(3,4)13-5/h1,8-10,13H,7H2,2-5H3
InChIKeyYJXUOYHJGIDQOW-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine (CID 114708442) is N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine is C#CCC(C)n1cncc1C(C)(C)NC.
What is the InChIKey of N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine?
The InChIKey is YJXUOYHJGIDQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-6-7-10(2)15-9-14-8-11(15)12(3,4)13-5/h1,8-10,13H,7H2,2-5H3.
What are the key properties of N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine?
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine is sourced from PubChem (CID 114708442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).