1-(2-methoxycyclopentyl)-2-propylguanidine

C10H21N3O — CID 62364188

IUPAC1-(2-methoxycyclopentyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCCC1OC
InChIInChI=1S/C10H21N3O/c1-3-7-12-10(11)13-8-5-4-6-9(8)14-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyBFBOHXFZXRNWHW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-methoxycyclopentyl)-2-propylguanidine

1-(2-methoxycyclopentyl)-2-propylguanidine (PubChem CID 62364188) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-2-propylguanidine
PubChem CID62364188
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-methoxycyclopentyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCCC1OC
InChIInChI=1S/C10H21N3O/c1-3-7-12-10(11)13-8-5-4-6-9(8)14-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyBFBOHXFZXRNWHW-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-2-propylguanidine?
The IUPAC name of 1-(2-methoxycyclopentyl)-2-propylguanidine (CID 62364188) is 1-(2-methoxycyclopentyl)-2-propylguanidine.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-2-propylguanidine?
The canonical SMILES for 1-(2-methoxycyclopentyl)-2-propylguanidine is CCC/N=C(\N)NC1CCCC1OC.
What is the InChIKey of 1-(2-methoxycyclopentyl)-2-propylguanidine?
The InChIKey is BFBOHXFZXRNWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-7-12-10(11)13-8-5-4-6-9(8)14-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(2-methoxycyclopentyl)-2-propylguanidine?
1-(2-methoxycyclopentyl)-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-2-propylguanidine is sourced from PubChem (CID 62364188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).