3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine

C10H21N3O — CID 170056778

IUPAC3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine
SMILESC/N=C(/N[C@@H]1CCCC[C@H]1O)N(C)C
InChIInChI=1S/C10H21N3O/c1-11-10(13(2)3)12-8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyOTZQUDQJUZCFGG-RKDXNWHRSA-N
MW199.30 g/mol
LogP0.43
Rot. Bonds1

About 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine

3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine (PubChem CID 170056778) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine.

Molecular Properties

Compound Name3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine
PubChem CID170056778
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine
SMILESC/N=C(/N[C@@H]1CCCC[C@H]1O)N(C)C
InChIInChI=1S/C10H21N3O/c1-11-10(13(2)3)12-8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyOTZQUDQJUZCFGG-RKDXNWHRSA-N
XLogP0.43
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
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

3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine?
The IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine (CID 170056778) is 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine.
What is the SMILES notation for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine?
The canonical SMILES for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine is C/N=C(/N[C@@H]1CCCC[C@H]1O)N(C)C.
What is the InChIKey of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine?
The InChIKey is OTZQUDQJUZCFGG-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21N3O/c1-11-10(13(2)3)12-8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine?
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine is sourced from PubChem (CID 170056778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).