2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C16H21N3 — CID 120666060

IUPAC2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c17-16(19-15-9-14(15)11-4-5-11)18-13-7-6-10-2-1-3-12(10)8-13/h6-8,11,14-15H,1-5,9H2,(H3,17,18,19)/t14-,15+/m0/s1
InChIKeyTYAMLRUTDUNGJZ-LSDHHAIUSA-N
MW255.36 g/mol
LogP2.70
Rot. Bonds3

About 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 120666060) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID120666060
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c17-16(19-15-9-14(15)11-4-5-11)18-13-7-6-10-2-1-3-12(10)8-13/h6-8,11,14-15H,1-5,9H2,(H3,17,18,19)/t14-,15+/m0/s1
InChIKeyTYAMLRUTDUNGJZ-LSDHHAIUSA-N
XLogP2.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.70
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'}

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Related Compounds

2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122098172
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
CID 120666092
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
CID 22675654
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
CID 122098926
(1S,2S,3S,4S)-3-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124553066
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 120666060) is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is TYAMLRUTDUNGJZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21N3/c17-16(19-15-9-14(15)11-4-5-11)18-13-7-6-10-2-1-3-12(10)8-13/h6-8,11,14-15H,1-5,9H2,(H3,17,18,19)/t14-,15+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 255.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 120666060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).