1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine

C12H23N3O — CID 103207424

IUPAC1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
SMILESN/C(=N\CC1CCC(O)C1)NC1CCCC1
InChIInChI=1S/C12H23N3O/c13-12(15-10-3-1-2-4-10)14-8-9-5-6-11(16)7-9/h9-11,16H,1-8H2,(H3,13,14,15)
InChIKeyYDXQFQLBCSPPKD-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.99
Rot. Bonds3

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

1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine (PubChem CID 103207424) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
PubChem CID103207424
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
SMILESN/C(=N\CC1CCC(O)C1)NC1CCCC1
InChIInChI=1S/C12H23N3O/c13-12(15-10-3-1-2-4-10)14-8-9-5-6-11(16)7-9/h9-11,16H,1-8H2,(H3,13,14,15)
InChIKeyYDXQFQLBCSPPKD-UHFFFAOYSA-N
XLogP0.99
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
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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Related Compounds

2-[(2-Hydroxycyclopentyl)methyl]-1-propan-2-ylguanidine
CID 65838064
1-Cyclohexyl-2-[(2-hydroxycyclopentyl)methyl]guanidine
CID 65838066
1-Cyclopropyl-2-[(2-hydroxycyclopentyl)methyl]guanidine
CID 65838469
1-Cyclopentyl-2-[(2-hydroxycyclopentyl)methyl]guanidine
CID 65838470
1-Cyclopentyl-2-[[2-(hydroxymethyl)cyclopentyl]methyl]guanidine
CID 65902896
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-[(3-Hydroxycyclopentyl)methyl]-2-methylguanidine
CID 103207412
1-Cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
CID 103711686
1-Cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine
CID 103859750
1-[(3-Hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine
CID 106136624

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine (CID 103207424) is 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine is N/C(=N\CC1CCC(O)C1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
The InChIKey is YDXQFQLBCSPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(15-10-3-1-2-4-10)14-8-9-5-6-11(16)7-9/h9-11,16H,1-8H2,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine?
1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(3-hydroxycyclopentyl)methyl]guanidine is sourced from PubChem (CID 103207424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).