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

C16H31N3O — CID 118456420

IUPAC1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
SMILESCC(O)CN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(20)12-17-16(18-14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h13-15,20H,2-12H2,1H3,(H2,17,18,19)
InChIKeyMJSLGRCCBQRWOG-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.57
Rot. Bonds4

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

1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine (PubChem CID 118456420) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
PubChem CID118456420
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
SMILESCC(O)CN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(20)12-17-16(18-14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h13-15,20H,2-12H2,1H3,(H2,17,18,19)
InChIKeyMJSLGRCCBQRWOG-UHFFFAOYSA-N
XLogP2.57
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.57
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-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
CID 176525069
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
CID 129246032
2-[2-(cyclohexylamino)propyl]-1,3-di(propan-2-yl)guanidine
CID 151930865
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-cyclohexyl-3-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111546712
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine (CID 118456420) is 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine is CC(O)CN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine?
The InChIKey is MJSLGRCCBQRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(20)12-17-16(18-14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h13-15,20H,2-12H2,1H3,(H2,17,18,19).
What are the key properties of 1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine?
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine has a molecular weight of 281.44 g/mol, XLogP of 2.57, 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-hydroxypropyl)guanidine is sourced from PubChem (CID 118456420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).