1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine

C10H21N3O — CID 70326353

IUPAC1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCC[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H21N3O/c1-12-10(11)13-6-5-8-3-2-4-9(14)7-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13)/t8-,9+/m1/s1
InChIKeyYUKQGBIYGBRCJP-BDAKNGLRSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds3

About 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine

1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine (PubChem CID 70326353) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
PubChem CID70326353
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCC[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H21N3O/c1-12-10(11)13-6-5-8-3-2-4-9(14)7-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13)/t8-,9+/m1/s1
InChIKeyYUKQGBIYGBRCJP-BDAKNGLRSA-N
XLogP0.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
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-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 103696908
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 106136649
N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
CID 163743916
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
3-heptylcyclohexan-1-ol
CID 64515801
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111985509
3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
CID 154872999
1-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-(cyclobutylmethyl)guanidine
CID 122097289

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine (CID 70326353) is 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine is C/N=C(\N)NCC[C@H]1CCC[C@H](O)C1.
What is the InChIKey of 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine?
The InChIKey is YUKQGBIYGBRCJP-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-10(11)13-6-5-8-3-2-4-9(14)7-8/h8-9,14H,2-7H2,1H3,(H3,11,12,13)/t8-,9+/m1/s1.
What are the key properties of 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine?
1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine is sourced from PubChem (CID 70326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).