1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine

C15H29N3O — CID 112697611

IUPAC1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
SMILESN/C(=N\CC1(CO)CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14(18-13-7-3-1-4-8-13)17-11-15(12-19)9-5-2-6-10-15/h13,19H,1-12H2,(H3,16,17,18)
InChIKeyOEEZBQSVVUMIMI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.17
Rot. Bonds4

About 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine

1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine (PubChem CID 112697611) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
PubChem CID112697611
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
SMILESN/C(=N\CC1(CO)CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14(18-13-7-3-1-4-8-13)17-11-15(12-19)9-5-2-6-10-15/h13,19H,1-12H2,(H3,16,17,18)
InChIKeyOEEZBQSVVUMIMI-UHFFFAOYSA-N
XLogP2.17
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.17
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-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
CID 122099517
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine (CID 112697611) is 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine is N/C(=N\CC1(CO)CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine?
The InChIKey is OEEZBQSVVUMIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-14(18-13-7-3-1-4-8-13)17-11-15(12-19)9-5-2-6-10-15/h13,19H,1-12H2,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine?
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine has a molecular weight of 267.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 112697611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).