2-[(1-hydroxycyclopentyl)methyl]guanidine

C7H15N3O — CID 62407845

IUPAC2-[(1-hydroxycyclopentyl)methyl]guanidine
SMILESNC(N)=NCC1(O)CCCC1
InChIInChI=1S/C7H15N3O/c8-6(9)10-5-7(11)3-1-2-4-7/h11H,1-5H2,(H4,8,9,10)
InChIKeyDNNUDBNSMIKUDA-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.44
Rot. Bonds2

About 2-[(1-hydroxycyclopentyl)methyl]guanidine

2-[(1-hydroxycyclopentyl)methyl]guanidine (PubChem CID 62407845) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl]guanidine
PubChem CID62407845
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-[(1-hydroxycyclopentyl)methyl]guanidine
SMILESNC(N)=NCC1(O)CCCC1
InChIInChI=1S/C7H15N3O/c8-6(9)10-5-7(11)3-1-2-4-7/h11H,1-5H2,(H4,8,9,10)
InChIKeyDNNUDBNSMIKUDA-UHFFFAOYSA-N
XLogP-0.44
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.44
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

N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
CID 131036177
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111088614
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088638
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
2-[(1-propoxycyclohexyl)methyl]guanidine
CID 111757570
1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111088645
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
1-(3,4-dimethoxyphenyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078463
1-(4-butan-2-ylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088612
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]guanidine?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]guanidine (CID 62407845) is 2-[(1-hydroxycyclopentyl)methyl]guanidine.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl]guanidine?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl]guanidine is NC(N)=NCC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl]guanidine?
The InChIKey is DNNUDBNSMIKUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-6(9)10-5-7(11)3-1-2-4-7/h11H,1-5H2,(H4,8,9,10).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl]guanidine?
2-[(1-hydroxycyclopentyl)methyl]guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl]guanidine is sourced from PubChem (CID 62407845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).