1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide

C16H24IN3 — CID 119147501

IUPAC1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCc2ccccc21)NC1CCCC1
InChIInChI=1S/C16H23N3.HI/c17-16(19-14-6-2-3-7-14)18-11-13-10-9-12-5-1-4-8-15(12)13;/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H3,17,18,19);1H
InChIKeyCMJZYUFZHJXNFT-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.18
Rot. Bonds3

About 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide

1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide (PubChem CID 119147501) has the molecular formula C16H24IN3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide
PubChem CID119147501
Molecular FormulaC16H24IN3
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCc2ccccc21)NC1CCCC1
InChIInChI=1S/C16H23N3.HI/c17-16(19-14-6-2-3-7-14)18-11-13-10-9-12-5-1-4-8-15(12)13;/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H3,17,18,19);1H
InChIKeyCMJZYUFZHJXNFT-UHFFFAOYSA-N
XLogP3.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.18
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'}

Analyze 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064694
2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
CID 15744568
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-amino-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylguanidine
CID 116515668
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119121072
1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064688
1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064684
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-propylguanidine;hydroiodide
CID 110912152
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide (CID 119147501) is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide is I.N/C(=N\CC1CCc2ccccc21)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide?
The InChIKey is CMJZYUFZHJXNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.HI/c17-16(19-14-6-2-3-7-14)18-11-13-10-9-12-5-1-4-8-15(12)13;/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H3,17,18,19);1H.
What are the key properties of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide?
1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide has a molecular weight of 385.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119147501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).