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

C9H19N3O — CID 103696908

IUPAC1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCCC(O)C1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-6-7-3-2-4-8(13)5-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyGGFHXDSMRVUXJF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds2

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

1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine (PubChem CID 103696908) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
PubChem CID103696908
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCCC(O)C1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-6-7-3-2-4-8(13)5-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyGGFHXDSMRVUXJF-UHFFFAOYSA-N
XLogP0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.07
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

1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
CID 70326353
1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 106136649
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
1-[(4,4-difluorocyclohexyl)methyl]-2-methylguanidine
CID 164655466
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine (CID 103696908) is 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine is C/N=C(\N)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine?
The InChIKey is GGFHXDSMRVUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(10)12-6-7-3-2-4-8(13)5-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine?
1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine is sourced from PubChem (CID 103696908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).