2-methyl-1-(1-phenylethyl)-3-propylguanidine

C13H21N3 — CID 110949022

IUPAC2-methyl-1-(1-phenylethyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C13H21N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,14,15,16)
InChIKeyKUKWHWLTLMCHNS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-1-(1-phenylethyl)-3-propylguanidine

2-methyl-1-(1-phenylethyl)-3-propylguanidine (PubChem CID 110949022) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylethyl)-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylethyl)-3-propylguanidine
PubChem CID110949022
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-methyl-1-(1-phenylethyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C13H21N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,14,15,16)
InChIKeyKUKWHWLTLMCHNS-UHFFFAOYSA-N
XLogP2.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.32
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'}

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Related Compounds

1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 110949645
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
CID 110949098
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949000
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950133
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
2-chloro-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110949128
methyl 7-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]heptanoate
CID 110949926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylethyl)-3-propylguanidine?
The IUPAC name of 2-methyl-1-(1-phenylethyl)-3-propylguanidine (CID 110949022) is 2-methyl-1-(1-phenylethyl)-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-(1-phenylethyl)-3-propylguanidine?
The canonical SMILES for 2-methyl-1-(1-phenylethyl)-3-propylguanidine is CCCN/C(=N\C)NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylethyl)-3-propylguanidine?
The InChIKey is KUKWHWLTLMCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-10-15-13(14-3)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-(1-phenylethyl)-3-propylguanidine?
2-methyl-1-(1-phenylethyl)-3-propylguanidine has a molecular weight of 219.33 g/mol, XLogP of 2.32, 4 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-propylguanidine is sourced from PubChem (CID 110949022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).