1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine

C14H27N3O — CID 119146529

IUPAC1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
SMILESCC(C)C1OCCC1C/N=C(\N)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-10(2)13-11(7-8-18-13)9-16-14(15)17-12-5-3-4-6-12/h10-13H,3-9H2,1-2H3,(H3,15,16,17)
InChIKeyUJMGDHCWMNMODB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.89
Rot. Bonds4

About 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine

1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine (PubChem CID 119146529) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
PubChem CID119146529
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
SMILESCC(C)C1OCCC1C/N=C(\N)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-10(2)13-11(7-8-18-13)9-16-14(15)17-12-5-3-4-6-12/h10-13H,3-9H2,1-2H3,(H3,15,16,17)
InChIKeyUJMGDHCWMNMODB-UHFFFAOYSA-N
XLogP1.89
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.89
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-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119146528
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
2-[(2-tert-butyloxan-3-yl)methyl]-1-cyclopropylguanidine
CID 111428540
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032554
1-(4-methoxyphenyl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800074
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800070
1,3-diethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 86813294
1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
CID 119161149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine (CID 119146529) is 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine is CC(C)C1OCCC1C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine?
The InChIKey is UJMGDHCWMNMODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)13-11(7-8-18-13)9-16-14(15)17-12-5-3-4-6-12/h10-13H,3-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine?
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 119146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).