1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide

C17H33IN4 — CID 110958506

IUPAC1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NC1CCCCC1.I
InChIInChI=1S/C17H32N4.HI/c1-2-18-17(20-15-6-4-3-5-7-15)19-12-14-10-11-21(13-14)16-8-9-16;/h14-16H,2-13H2,1H3,(H2,18,19,20);1H
InChIKeyYEGBJTHDNQERKA-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.98
Rot. Bonds5

About 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide

1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide (PubChem CID 110958506) has the molecular formula C17H33IN4 and a molecular weight of 420.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
PubChem CID110958506
Molecular FormulaC17H33IN4
Molecular Weight420.38 g/mol
Exact Mass420.17
IUPAC Name1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NC1CCCCC1.I
InChIInChI=1S/C17H32N4.HI/c1-2-18-17(20-15-6-4-3-5-7-15)19-12-14-10-11-21(13-14)16-8-9-16;/h14-16H,2-13H2,1H3,(H2,18,19,20);1H
InChIKeyYEGBJTHDNQERKA-UHFFFAOYSA-N
XLogP2.98
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.98
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

2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109441423
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416081
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111920197
N-cyclohexyl-2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111919002
1-cyclopentyl-3-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 110990936
1-cyclopropyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111759477
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119158332
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111894435
1-cyclopentyl-3-ethyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110991739
1-(1-benzyl-2-methylpiperidin-4-yl)-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109459431
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-cyclopentyl-3-ethylguanidine;hydroiodide
CID 110992842

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide (CID 110958506) is 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CC1CCN(C2CC2)C1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is YEGBJTHDNQERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4.HI/c1-2-18-17(20-15-6-4-3-5-7-15)19-12-14-10-11-21(13-14)16-8-9-16;/h14-16H,2-13H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide?
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 420.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110958506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).