2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C15H21N3 — CID 111814632

IUPAC2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\CCC1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N3/c16-15(17-9-8-11-4-5-11)18-14-7-6-12-2-1-3-13(12)10-14/h6-7,10-11H,1-5,8-9H2,(H3,16,17,18)
InChIKeyMKQRITGRYKISSL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 111814632) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID111814632
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\CCC1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N3/c16-15(17-9-8-11-4-5-11)18-14-7-6-12-2-1-3-13(12)10-14/h6-7,10-11H,1-5,8-9H2,(H3,16,17,18)
InChIKeyMKQRITGRYKISSL-UHFFFAOYSA-N
XLogP2.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822516
2-[2-(cyclopropylmethoxy)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111801942
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
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-hydroxyethoxy)propyl]guanidine
CID 110018612
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111095009
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
4-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066143
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 111814632) is 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\CCC1CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is MKQRITGRYKISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-15(17-9-8-11-4-5-11)18-14-7-6-12-2-1-3-13(12)10-14/h6-7,10-11H,1-5,8-9H2,(H3,16,17,18).
What are the key properties of 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 243.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 111814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).