N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine

C10H15N3 — CID 82903143

IUPACN-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)c1cncn1C
InChIInChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-12-8-13(10)3/h1,7-9,11H,5-6H2,2-3H3
InChIKeyRZFBJSDMLGDTJI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.09
Rot. Bonds4

About N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine

N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine (PubChem CID 82903143) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
PubChem CID82903143
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)c1cncn1C
InChIInChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-12-8-13(10)3/h1,7-9,11H,5-6H2,2-3H3
InChIKeyRZFBJSDMLGDTJI-UHFFFAOYSA-N
XLogP1.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.09
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

N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
[4-methyl-1-(3-methylimidazol-4-yl)pentyl]hydrazine
CID 105264513
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine
CID 63988752

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine (CID 82903143) is N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine is C#CCCC(NC)c1cncn1C.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine?
The InChIKey is RZFBJSDMLGDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-12-8-13(10)3/h1,7-9,11H,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine?
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine is sourced from PubChem (CID 82903143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).