1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine

C11H23N3O — CID 106136629

IUPAC1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-7-8-4-5-9(15)6-8/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyNFQTURCDVHQDGC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.85
Rot. Bonds2

About 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine

1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine (PubChem CID 106136629) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
PubChem CID106136629
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-7-8-4-5-9(15)6-8/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyNFQTURCDVHQDGC-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
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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Related Compounds

1-tert-butyl-2-(2-cyclopentylethyl)guanidine
CID 62363522
1-tert-butyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111084251
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
CID 119120722
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
1-tert-butyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081762
1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
CID 122098987
1-tert-butyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018474
1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086316
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
CID 2730518
tert-butyl 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111082956

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine (CID 106136629) is 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine is CC(C)(C)N/C(N)=N/CC1CCC(O)C1.
What is the InChIKey of 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The InChIKey is NFQTURCDVHQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-7-8-4-5-9(15)6-8/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.85, 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-[(3-hydroxycyclopentyl)methyl]guanidine is sourced from PubChem (CID 106136629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).