1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine

C11H21N3O — CID 106136644

IUPAC1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1CCC(O)CC1)NC1CC1
InChIInChI=1S/C11H21N3O/c12-11(14-9-3-4-9)13-7-8-1-5-10(15)6-2-8/h8-10,15H,1-7H2,(H3,12,13,14)
InChIKeyXDBBAHFDDQZTCO-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds3

About 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine

1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine (PubChem CID 106136644) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
PubChem CID106136644
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1CCC(O)CC1)NC1CC1
InChIInChI=1S/C11H21N3O/c12-11(14-9-3-4-9)13-7-8-1-5-10(15)6-2-8/h8-10,15H,1-7H2,(H3,12,13,14)
InChIKeyXDBBAHFDDQZTCO-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
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-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 62363764
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 106136629
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine (CID 106136644) is 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine is N/C(=N\CC1CCC(O)CC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine?
The InChIKey is XDBBAHFDDQZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11(14-9-3-4-9)13-7-8-1-5-10(15)6-2-8/h8-10,15H,1-7H2,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine?
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine has a molecular weight of 211.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 106136644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).