1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide

C14H28IN3 — CID 111604591

IUPAC1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC1CC1)NC1CCCCC1.I
InChIInChI=1S/C14H27N3.HI/c1-2-15-14(16-11-10-12-8-9-12)17-13-6-4-3-5-7-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyNTNMQOMGWOSNDK-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.29
Rot. Bonds5

About 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide

1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide (PubChem CID 111604591) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
PubChem CID111604591
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC1CC1)NC1CCCCC1.I
InChIInChI=1S/C14H27N3.HI/c1-2-15-14(16-11-10-12-8-9-12)17-13-6-4-3-5-7-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyNTNMQOMGWOSNDK-UHFFFAOYSA-N
XLogP3.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.29
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-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
CID 111573490
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111190165
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111257031
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111784325
tert-butyl N-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110959324
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide (CID 111604591) is 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CCC1CC1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is NTNMQOMGWOSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-2-15-14(16-11-10-12-8-9-12)17-13-6-4-3-5-7-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H.
What are the key properties of 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide?
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111604591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).