1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine

C19H29N3O — CID 111791024

IUPAC1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCOC1c1ccccc1)NC1CCCC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-17-10-6-7-11-17)21-14-16-12-13-23-18(16)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H2,20,21,22)
InChIKeyPJCHMQIVNFBNDI-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine

1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine (PubChem CID 111791024) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine
PubChem CID111791024
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCOC1c1ccccc1)NC1CCCC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-17-10-6-7-11-17)21-14-16-12-13-23-18(16)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H2,20,21,22)
InChIKeyPJCHMQIVNFBNDI-UHFFFAOYSA-N
XLogP3.26
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 110992684
1-ethyl-3-(2-methylcyclopropyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 86770908
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 86770911
1-ethyl-3-hexyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 111620920
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 109440356
1-ethyl-3-hexyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 111620919
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
1-butyl-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 111149793
1-ethyl-3-(1-phenylethyl)-2-[(2-phenyloxan-3-yl)methyl]guanidine
CID 110950166
1-ethyl-2-[(2-phenyloxolan-3-yl)methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111620814
1-ethyl-2-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111791581
N-[2-[[N-ethyl-N'-[(2-phenyloxan-3-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927786

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine (CID 111791024) is 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine is CCN/C(=N\CC1CCOC1c1ccccc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine?
The InChIKey is PJCHMQIVNFBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20-19(22-17-10-6-7-11-17)21-14-16-12-13-23-18(16)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine?
1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine has a molecular weight of 315.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[(2-phenyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 111791024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).