1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine

C13H27N3O — CID 103676725

IUPAC1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine
SMILESCC(C)(C)CC(O)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)8-11(17)9-15-12(14)16-10-6-4-5-7-10/h10-11,17H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyMDMAJWIAUUHIHL-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.63
Rot. Bonds4

About 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine

1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine (PubChem CID 103676725) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine
PubChem CID103676725
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine
SMILESCC(C)(C)CC(O)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)8-11(17)9-15-12(14)16-10-6-4-5-7-10/h10-11,17H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyMDMAJWIAUUHIHL-UHFFFAOYSA-N
XLogP1.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.63
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-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine (CID 103676725) is 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine is CC(C)(C)CC(O)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine?
The InChIKey is MDMAJWIAUUHIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)8-11(17)9-15-12(14)16-10-6-4-5-7-10/h10-11,17H,4-9H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine?
1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-hydroxy-4,4-dimethylpentyl)guanidine is sourced from PubChem (CID 103676725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).