1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide

C16H31IN4O — CID 119146934

IUPAC1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCCC1
InChIInChI=1S/C16H30N4O.HI/c17-15(19-14-5-1-2-6-14)18-13-16(7-11-21-12-8-16)20-9-3-4-10-20;/h14H,1-13H2,(H3,17,18,19);1H
InChIKeyHNGOSSGPLIAKAX-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide

1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119146934) has the molecular formula C16H31IN4O and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
PubChem CID119146934
Molecular FormulaC16H31IN4O
Molecular Weight422.36 g/mol
Exact Mass422.15
IUPAC Name1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCCC1
InChIInChI=1S/C16H30N4O.HI/c17-15(19-14-5-1-2-6-14)18-13-16(7-11-21-12-8-16)20-9-3-4-10-20;/h14H,1-13H2,(H3,17,18,19);1H
InChIKeyHNGOSSGPLIAKAX-UHFFFAOYSA-N
XLogP2.10
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
CID 122095628
1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098991
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 119123964
1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
CID 119120840
ethyl 4-[[N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111821073
1-(4-methylphenyl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111804037
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111097254
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide (CID 119146934) is 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide is I.N/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is HNGOSSGPLIAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.HI/c17-15(19-14-5-1-2-6-14)18-13-16(7-11-21-12-8-16)20-9-3-4-10-20;/h14H,1-13H2,(H3,17,18,19);1H.
What are the key properties of 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 422.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119146934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).