1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine

C11H23N3O — CID 62521968

IUPAC1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESCC(C)(C)N/C(N)=N/C1(CO)CCCC1
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-11(8-15)6-4-5-7-11/h15H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyQJFRUPXLXQDEPQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds2

About 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine

1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 62521968) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID62521968
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESCC(C)(C)N/C(N)=N/C1(CO)CCCC1
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-11(8-15)6-4-5-7-11/h15H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyQJFRUPXLXQDEPQ-UHFFFAOYSA-N
XLogP0.99
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
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-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine (CID 62521968) is 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine is CC(C)(C)N/C(N)=N/C1(CO)CCCC1.
What is the InChIKey of 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is QJFRUPXLXQDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-11(8-15)6-4-5-7-11/h15H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine?
1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[1-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 62521968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).