1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine

C15H27N3 — CID 119154322

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCC2CCCC2C1
InChIInChI=1S/C15H27N3/c1-16-15(17-13-6-3-7-13)18-14-9-8-11-4-2-5-12(11)10-14/h11-14H,2-10H2,1H3,(H2,16,17,18)
InChIKeyNOWRMWZTLPSNLX-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine (PubChem CID 119154322) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
PubChem CID119154322
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCC2CCCC2C1
InChIInChI=1S/C15H27N3/c1-16-15(17-13-6-3-7-13)18-14-9-8-11-4-2-5-12(11)10-14/h11-14H,2-10H2,1H3,(H2,16,17,18)
InChIKeyNOWRMWZTLPSNLX-UHFFFAOYSA-N
XLogP2.67
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.67
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-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-cyclobutyl-2-methyl-3-(3-methylsulfanylcyclohexyl)guanidine
CID 119154206
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
1-cyclobutyl-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 119153768
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119134073
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119134110
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 119134140
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 119158751
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine
CID 119160397
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine (CID 119154322) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine is C/N=C(\NC1CCC1)NC1CCC2CCCC2C1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine?
The InChIKey is NOWRMWZTLPSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-16-15(17-13-6-3-7-13)18-14-9-8-11-4-2-5-12(11)10-14/h11-14H,2-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine has a molecular weight of 249.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine is sourced from PubChem (CID 119154322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).