2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine

C13H17N3 — CID 110949098

IUPAC2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C13H17N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3,(H2,14,15,16)
InChIKeyCGALNEVWKKCIKC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine

2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine (PubChem CID 110949098) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
PubChem CID110949098
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C13H17N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3,(H2,14,15,16)
InChIKeyCGALNEVWKKCIKC-UHFFFAOYSA-N
XLogP1.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111356803
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947841
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
2-chloro-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110949128
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine?
The IUPAC name of 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine (CID 110949098) is 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine?
The canonical SMILES for 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine?
The InChIKey is CGALNEVWKKCIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine?
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine has a molecular weight of 215.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 110949098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).