1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine

C15H29N3O — CID 122691164

IUPAC1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
SMILESOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O/c19-12-11-16-15(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h13-14,19H,1-12H2,(H2,16,17,18)
InChIKeyOGGNTIOLPLXGPD-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.18
Rot. Bonds4

About 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine

1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine (PubChem CID 122691164) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
PubChem CID122691164
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
SMILESOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3O/c19-12-11-16-15(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h13-14,19H,1-12H2,(H2,16,17,18)
InChIKeyOGGNTIOLPLXGPD-UHFFFAOYSA-N
XLogP2.18
TPSA56.65 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 ≤ 52.18
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

2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
CID 129246032
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
CID 176523791
1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 111990596
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine (CID 122691164) is 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine is OCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine?
The InChIKey is OGGNTIOLPLXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c19-12-11-16-15(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h13-14,19H,1-12H2,(H2,16,17,18).
What are the key properties of 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine?
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine has a molecular weight of 267.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 122691164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).