1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide

C11H20IN3O — CID 119155580

IUPAC1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCC1CCCC1O.I
InChIInChI=1S/C11H19N3O.HI/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15;/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14);1H
InChIKeyFPFBWWHRMXXHSR-UHFFFAOYSA-N
MW337.21 g/mol
LogP0.56
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 119155580) has the molecular formula C11H20IN3O and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
PubChem CID119155580
Molecular FormulaC11H20IN3O
Molecular Weight337.21 g/mol
Exact Mass337.07
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCC1CCCC1O.I
InChIInChI=1S/C11H19N3O.HI/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15;/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14);1H
InChIKeyFPFBWWHRMXXHSR-UHFFFAOYSA-N
XLogP0.56
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119155581
1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155538
1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155172
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155046
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 119154920
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 119148717
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-(1-propylsulfonylpiperidin-4-yl)guanidine;hydroiodide
CID 119155160
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine
CID 119155661
1-(2-bromoprop-2-enyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 130615897
1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine
CID 119149140
1-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
2-methyl-1-prop-2-ynyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 119149137

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide (CID 119155580) is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N\C)NCC1CCCC1O.I.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is FPFBWWHRMXXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.HI/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15;/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14);1H.
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 337.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 119155580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).