1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

C14H28IN3 — CID 110987907

IUPAC1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCCC1C)NC1CC1.I
InChIInChI=1S/C14H27N3.HI/c1-3-15-14(17-13-8-9-13)16-10-12-7-5-4-6-11(12)2;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyPSLLLCYDBWTMLC-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.15
Rot. Bonds4

About 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 110987907) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID110987907
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCCC1C)NC1CC1.I
InChIInChI=1S/C14H27N3.HI/c1-3-15-14(17-13-8-9-13)16-10-12-7-5-4-6-11(12)2;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyPSLLLCYDBWTMLC-UHFFFAOYSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109438738
1-ethyl-3-(2-methoxyethyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110939535
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
1-cyclopentyl-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 110992684
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111833833
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)guanidine
CID 111255763
1-cyclopropyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111759477

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 110987907) is 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1CCCCC1C)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is PSLLLCYDBWTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-3-15-14(17-13-8-9-13)16-10-12-7-5-4-6-11(12)2;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110987907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).