2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine

C10H21N3O — CID 62364189

IUPAC2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine
SMILESCOC1CCCC1/N=C(\N)NC(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-5-4-6-9(8)14-3/h7-9H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyDQCXLIFTUNSWLU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds3

About 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine

2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine (PubChem CID 62364189) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine
PubChem CID62364189
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine
SMILESCOC1CCCC1/N=C(\N)NC(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-5-4-6-9(8)14-3/h7-9H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyDQCXLIFTUNSWLU-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine (CID 62364189) is 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine is COC1CCCC1/N=C(\N)NC(C)C.
What is the InChIKey of 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine?
The InChIKey is DQCXLIFTUNSWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-5-4-6-9(8)14-3/h7-9H,4-6H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine?
2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclopentyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62364189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).