1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide

C16H30IN3O — CID 119161927

IUPAC1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCOCC1)NC1CC1C1CCCCC1.I
InChIInChI=1S/C16H29N3O.HI/c1-17-16(18-13-7-9-20-10-8-13)19-15-11-14(15)12-5-3-2-4-6-12;/h12-15H,2-11H2,1H3,(H2,17,18,19);1H
InChIKeyPHUGVMSYKBHSKQ-UHFFFAOYSA-N
MW407.34 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide (PubChem CID 119161927) has the molecular formula C16H30IN3O and a molecular weight of 407.34 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
PubChem CID119161927
Molecular FormulaC16H30IN3O
Molecular Weight407.34 g/mol
Exact Mass407.14
IUPAC Name1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCOCC1)NC1CC1C1CCCCC1.I
InChIInChI=1S/C16H29N3O.HI/c1-17-16(18-13-7-9-20-10-8-13)19-15-11-14(15)12-5-3-2-4-6-12;/h12-15H,2-11H2,1H3,(H2,17,18,19);1H
InChIKeyPHUGVMSYKBHSKQ-UHFFFAOYSA-N
XLogP2.92
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111770529
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161997
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111774940
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111773693
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
CID 119154322
4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol
CID 78150880
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-(oxan-4-yl)guanidine
CID 119162038
1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
CID 130614190

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide (CID 119161927) is 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide is C/N=C(/NC1CCOCC1)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide?
The InChIKey is PHUGVMSYKBHSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.HI/c1-17-16(18-13-7-9-20-10-8-13)19-15-11-14(15)12-5-3-2-4-6-12;/h12-15H,2-11H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide has a molecular weight of 407.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 119161927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).