1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine

C16H23N3O — CID 122098481

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
SMILESCC1CCC(C/N=C(\N)Nc2ccc3c(c2)CCC3)O1
InChIInChI=1S/C16H23N3O/c1-11-5-8-15(20-11)10-18-16(17)19-14-7-6-12-3-2-4-13(12)9-14/h6-7,9,11,15H,2-5,8,10H2,1H3,(H3,17,18,19)
InChIKeyIKYZBSBDUJDSKT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine (PubChem CID 122098481) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
PubChem CID122098481
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
SMILESCC1CCC(C/N=C(\N)Nc2ccc3c(c2)CCC3)O1
InChIInChI=1S/C16H23N3O/c1-11-5-8-15(20-11)10-18-16(17)19-14-7-6-12-3-2-4-13(12)9-14/h6-7,9,11,15H,2-5,8,10H2,1H3,(H3,17,18,19)
InChIKeyIKYZBSBDUJDSKT-UHFFFAOYSA-N
XLogP2.47
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
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'}

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine 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

1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111040726
2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122098172
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
CID 111057548
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(dimethylamino)oxan-4-yl]methyl]guanidine
CID 111809250
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111035662

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine (CID 122098481) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine is CC1CCC(C/N=C(\N)Nc2ccc3c(c2)CCC3)O1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The InChIKey is IKYZBSBDUJDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-5-8-15(20-11)10-18-16(17)19-14-7-6-12-3-2-4-13(12)9-14/h6-7,9,11,15H,2-5,8,10H2,1H3,(H3,17,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine has a molecular weight of 273.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine is sourced from PubChem (CID 122098481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).