2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine

C12H25N3O — CID 62361643

IUPAC2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(N)=N/C1CCCC1)C(C)COC
InChIInChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBIMRQCMNMPAVFC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds5

About 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine

2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 62361643) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
PubChem CID62361643
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(N)=N/C1CCCC1)C(C)COC
InChIInChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBIMRQCMNMPAVFC-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine (CID 62361643) is 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine is CCN(/C(N)=N/C1CCCC1)C(C)COC.
What is the InChIKey of 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is BIMRQCMNMPAVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 62361643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).