1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine

C8H17N3O — CID 103207412

IUPAC1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCC(O)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-6-2-3-7(12)4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyPVZDUNPRONWEFM-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.32
Rot. Bonds2

About 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine

1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine (PubChem CID 103207412) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine
PubChem CID103207412
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCC(O)C1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-6-2-3-7(12)4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyPVZDUNPRONWEFM-UHFFFAOYSA-N
XLogP-0.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.32
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'}

Analyze 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Hydroxycyclopentyl)methyl]-1-propan-2-ylguanidine
CID 65838064
1-Ethyl-2-[(2-hydroxycyclopentyl)methyl]guanidine
CID 65838065
1-[(2-Hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine
CID 65838263
1-[(2-Hydroxycyclopentyl)methyl]-2-methylguanidine
CID 65838471
2-[(2-Hydroxycyclopentyl)methyl]-1-propylguanidine
CID 65838472
1-[[2-(Hydroxymethyl)cyclopentyl]methyl]-2-(2-methylpropyl)guanidine
CID 65902702
1-[[2-(Hydroxymethyl)cyclopentyl]methyl]-2-methylguanidine
CID 65902703
2-[[2-(Hydroxymethyl)cyclopentyl]methyl]-1-propylguanidine
CID 65903090
1-Cyclopentyl-2-(2-ethyl-4-hydroxybutyl)guanidine
CID 80193827
1-Cyclopropyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 103207399
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
CID 103207403
1-Cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 103207424

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine (CID 103207412) is 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine is C/N=C(\N)NCC1CCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine?
The InChIKey is PVZDUNPRONWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11-5-6-2-3-7(12)4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine?
1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclopentyl)methyl]-2-methylguanidine is sourced from PubChem (CID 103207412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).