1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine

C11H21N3O — CID 103696907

IUPAC1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1CCCC(O)C1)NC1CC1
InChIInChI=1S/C11H21N3O/c12-11(14-9-4-5-9)13-7-8-2-1-3-10(15)6-8/h8-10,15H,1-7H2,(H3,12,13,14)
InChIKeyYDNYRLRXQDYQNZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds3

About 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine

1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine (PubChem CID 103696907) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
PubChem CID103696907
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
SMILESN/C(=N\CC1CCCC(O)C1)NC1CC1
InChIInChI=1S/C11H21N3O/c12-11(14-9-4-5-9)13-7-8-2-1-3-10(15)6-8/h8-10,15H,1-7H2,(H3,12,13,14)
InChIKeyYDNYRLRXQDYQNZ-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'}

Analyze 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 106136629
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
CID 122126105
1-[2-[(1R,3S)-3-hydroxycyclohexyl]ethyl]-2-methylguanidine
CID 70326353
2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
CID 120666045
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 62363764

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine (CID 103696907) is 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine is N/C(=N\CC1CCCC(O)C1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine?
The InChIKey is YDNYRLRXQDYQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11(14-9-4-5-9)13-7-8-2-1-3-10(15)6-8/h8-10,15H,1-7H2,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine?
1-cyclopropyl-2-[(3-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-[(3-hydroxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 103696907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).