2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine

C10H21N3O — CID 62364594

IUPAC2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1CCC(O)CC1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-3-5-9(14)6-4-8/h7-9,14H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyVHJGWGMRWFCGDZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine

2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine (PubChem CID 62364594) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
PubChem CID62364594
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1CCC(O)CC1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-3-5-9(14)6-4-8/h7-9,14H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyVHJGWGMRWFCGDZ-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.60
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-(4-Hydroxycyclohexyl)-2-(2-sulfanylethyl)guanidine
CID 71568715
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111189968
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111190146
2-(2,2-Difluoroethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979611
1-Ethyl-3-(4-hydroxycyclohexyl)-2-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112433298
1-Ethyl-3-(4-hydroxycyclohexyl)-2-(5,5,5-trifluoropentyl)guanidine
CID 112433299
1-(1-Hydroxyhexan-2-yl)-2-methylguanidine
CID 23103999
1,3-Ditert-butyl-2-(4-hydroxycyclohexyl)guanidine
CID 58030659
1-(4-Hydroxycyclohexyl)-2-methylguanidine
CID 62358617
4-(2-Aminopropan-2-ylamino)cyclohexan-1-ol
CID 89605552
2-(6-Hydroxyhexyl)-1,3-di(propan-2-yl)guanidine
CID 118456412
4-[4-(tert-butylamino)-2,2-dimethyl-1H-1,3-diazet-3-ium-3-yl]cyclohexan-1-ol
CID 123270864

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine (CID 62364594) is 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine?
The InChIKey is VHJGWGMRWFCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)12-10(11)13-8-3-5-9(14)6-4-8/h7-9,14H,3-6H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine?
2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62364594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).