1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide

C14H25IN4O — CID 119155538

IUPAC1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC1O)NC1CCCC1C#N.I
InChIInChI=1S/C14H24N4O.HI/c1-16-14(17-9-11-5-3-7-13(11)19)18-12-6-2-4-10(12)8-15;/h10-13,19H,2-7,9H2,1H3,(H2,16,17,18);1H
InChIKeyRLLNPWGMYYKNLL-UHFFFAOYSA-N
MW392.29 g/mol
LogP1.62
Rot. Bonds3

About 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide

1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 119155538) has the molecular formula C14H25IN4O and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID119155538
Molecular FormulaC14H25IN4O
Molecular Weight392.29 g/mol
Exact Mass392.11
IUPAC Name1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC1O)NC1CCCC1C#N.I
InChIInChI=1S/C14H24N4O.HI/c1-16-14(17-9-11-5-3-7-13(11)19)18-12-6-2-4-10(12)8-15;/h10-13,19H,2-7,9H2,1H3,(H2,16,17,18);1H
InChIKeyRLLNPWGMYYKNLL-UHFFFAOYSA-N
XLogP1.62
TPSA80.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
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

2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158907
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119155580
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(2-cyanocyclopentyl)-2-methylguanidine
CID 119160515
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119155581
1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155172
1-(2-cyanocyclopentyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 119159919
1-(2-cyanocyclopentyl)-3-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157221
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-(1-propylsulfonylpiperidin-4-yl)guanidine;hydroiodide
CID 119155160
1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 119160505
2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 64910829
1-[(2-hydroxycyclopentyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
CID 119155203
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide (CID 119155538) is 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCC1CCCC1O)NC1CCCC1C#N.I.
What is the InChIKey of 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is RLLNPWGMYYKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.HI/c1-16-14(17-9-11-5-3-7-13(11)19)18-12-6-2-4-10(12)8-15;/h10-13,19H,2-7,9H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide?
1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 392.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119155538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).