1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine

C9H19N3O — CID 106136649

IUPAC1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-6-7-2-4-8(13)5-3-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyKRMQOCCBXXLYQF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds2

About 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine

1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine (PubChem CID 106136649) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
PubChem CID106136649
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12-6-7-2-4-8(13)5-3-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyKRMQOCCBXXLYQF-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

4-[Amino(dimethylamino)methyl]cyclohexan-1-ol
CID 66715554
1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
CID 70326353
1-[4-(Hydroxymethyl)cyclohexyl]-2,3-dimethylguanidine
CID 131194533
4-[(S)-amino(dimethylamino)methyl]cyclohexan-1-ol
CID 134284889
1-[(1R,2R,4R)-4-hydroxy-2-methylcyclohexyl]-2-methylguanidine
CID 167021894
2-[(1-Hydroxycyclohexyl)methyl]-1-(2-methylpropyl)guanidine
CID 63363236
1-Ethyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64910881
2-[(2-Hydroxycyclohexyl)methyl]-1-propan-2-ylguanidine
CID 64911087
1-[(2-Hydroxycyclohexyl)methyl]-2-(2-methylpropyl)guanidine
CID 64911286
2-[(2-Hydroxycyclohexyl)methyl]-1-propylguanidine
CID 64911287
1-[(2-Hydroxycyclohexyl)methyl]-2-methylguanidine
CID 64911288
2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-1-(2-methylpropyl)guanidine
CID 65124124

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine (CID 106136649) is 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine is C/N=C(\N)NCC1CCC(O)CC1.
What is the InChIKey of 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine?
The InChIKey is KRMQOCCBXXLYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(10)12-6-7-2-4-8(13)5-3-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of 1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine?
1-[(4-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-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine is sourced from PubChem (CID 106136649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).