1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine

C18H29N3O — CID 110948758

IUPAC1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(\NCCCOC1CCCC1)NC(C)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-15(16-9-4-3-5-10-16)21-18(19-2)20-13-8-14-22-17-11-6-7-12-17/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H2,19,20,21)
InChIKeyZPTCVUDRKCJYMQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.26
Rot. Bonds7

About 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine

1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine (PubChem CID 110948758) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
PubChem CID110948758
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(\NCCCOC1CCCC1)NC(C)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-15(16-9-4-3-5-10-16)21-18(19-2)20-13-8-14-22-17-11-6-7-12-17/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H2,19,20,21)
InChIKeyZPTCVUDRKCJYMQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-cyclohexyloxypropylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545914
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111134639
1-butan-2-yl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110944370
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
1-(3,3-diphenylpropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667718
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545682
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine (CID 110948758) is 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine is C/N=C(\NCCCOC1CCCC1)NC(C)c1ccccc1.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine?
The InChIKey is ZPTCVUDRKCJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(16-9-4-3-5-10-16)21-18(19-2)20-13-8-14-22-17-11-6-7-12-17/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine?
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine has a molecular weight of 303.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).