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

C11H23N3O — CID 106136624

IUPAC1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-7-9-3-4-10(15)5-9/h8-10,15H,3-7H2,1-2H3,(H3,12,13,14)
InChIKeySGOUVFVNOFZGQW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.71
Rot. Bonds4

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

1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine (PubChem CID 106136624) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine
PubChem CID106136624
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-7-9-3-4-10(15)5-9/h8-10,15H,3-7H2,1-2H3,(H3,12,13,14)
InChIKeySGOUVFVNOFZGQW-UHFFFAOYSA-N
XLogP0.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.71
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-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine (CID 106136624) is 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCC1CCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The InChIKey is SGOUVFVNOFZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-7-9-3-4-10(15)5-9/h8-10,15H,3-7H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
1-[(3-hydroxycyclopentyl)methyl]-2-(2-methylpropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.71, 4 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-(2-methylpropyl)guanidine is sourced from PubChem (CID 106136624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).