2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine

C11H23N3O — CID 62362076

IUPAC2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)N(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C11H23N3O/c1-9(8-15-3)14(2)11(12)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYQQPGSQLORORIP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds4

About 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine

2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine (PubChem CID 62362076) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine
PubChem CID62362076
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)N(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C11H23N3O/c1-9(8-15-3)14(2)11(12)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYQQPGSQLORORIP-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
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-(1-methoxypropan-2-yl)-1-methylguanidine?
The IUPAC name of 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine (CID 62362076) is 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine is COCC(C)N(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine?
The InChIKey is YQQPGSQLORORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(8-15-3)14(2)11(12)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine?
2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-methoxypropan-2-yl)-1-methylguanidine is sourced from PubChem (CID 62362076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).