2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine

C10H23N3O — CID 106162010

IUPAC2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
SMILESCC(CO)CCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)13-10(11)12-6-4-5-9(3)7-14/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyZGVFGHNGJUAVHN-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds6

About 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine

2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine (PubChem CID 106162010) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
PubChem CID106162010
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
SMILESCC(CO)CCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)13-10(11)12-6-4-5-9(3)7-14/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyZGVFGHNGJUAVHN-UHFFFAOYSA-N
XLogP0.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
2-(4-hydroxy-2-methylbutyl)-1-propan-2-ylguanidine
CID 66108620
2-(3-methylsulfonylpropyl)-1-propan-2-ylguanidine
CID 62362658
2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
CID 103646281
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912003
2-pent-3-ynyl-1-propan-2-ylguanidine
CID 116644361
1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine
CID 122697562

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine (CID 106162010) is 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine is CC(CO)CCC/N=C(\N)NC(C)C.
What is the InChIKey of 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine?
The InChIKey is ZGVFGHNGJUAVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)13-10(11)12-6-4-5-9(3)7-14/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine?
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine has a molecular weight of 201.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 106162010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).