1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine

C14H27N3O2 — CID 119155673

IUPAC1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOC1)NCC1CCCC1O
InChIInChI=1S/C14H27N3O2/c1-2-15-14(16-8-11-6-7-19-10-11)17-9-12-4-3-5-13(12)18/h11-13,18H,2-10H2,1H3,(H2,15,16,17)
InChIKeyBNFRLIKIMYWJDF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.74
Rot. Bonds5

About 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine

1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine (PubChem CID 119155673) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
PubChem CID119155673
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOC1)NCC1CCCC1O
InChIInChI=1S/C14H27N3O2/c1-2-15-14(16-8-11-6-7-19-10-11)17-9-12-4-3-5-13(12)18/h11-13,18H,2-10H2,1H3,(H2,15,16,17)
InChIKeyBNFRLIKIMYWJDF-UHFFFAOYSA-N
XLogP0.74
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine
CID 119162854
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119162853
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119134195
1-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119157802
1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine
CID 91646365
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111623190
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150551
1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
CID 104882633
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-ethyl-3-(oxolan-3-ylmethyl)guanidine
CID 119151001
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[(2-hydroxycyclopentyl)methyl]guanidine
CID 111837905

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine (CID 119155673) is 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CC1CCOC1)NCC1CCCC1O.
What is the InChIKey of 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine?
The InChIKey is BNFRLIKIMYWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-15-14(16-8-11-6-7-19-10-11)17-9-12-4-3-5-13(12)18/h11-13,18H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine?
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine has a molecular weight of 269.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 119155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).