N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine

C7H9N3 — CID 62762970

IUPACN-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1cnc[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-8-4-7-5-9-6-10-7/h1,5-6,8H,3-4H2,(H,9,10)
InChIKeyMEIQVBHWZOQRRG-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.13
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine

N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine (PubChem CID 62762970) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
PubChem CID62762970
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1cnc[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-8-4-7-5-9-6-10-7/h1,5-6,8H,3-4H2,(H,9,10)
InChIKeyMEIQVBHWZOQRRG-UHFFFAOYSA-N
XLogP0.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine (CID 62762970) is N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine is C#CCNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine?
The InChIKey is MEIQVBHWZOQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-3-8-4-7-5-9-6-10-7/h1,5-6,8H,3-4H2,(H,9,10).
What are the key properties of N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine?
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine has a molecular weight of 135.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 62762970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).