2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide

C19H26BrN3 — CID 123318457

IUPAC2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide
SMILES[H]/N=C(N)/C(C)=N/C1c2cc(Br)ccc2CC12CC(C)CC(C)C2
InChIInChI=1S/C19H26BrN3/c1-11-6-12(2)9-19(8-11)10-14-4-5-15(20)7-16(14)17(19)23-13(3)18(21)22/h4-5,7,11-12,17H,6,8-10H2,1-3H3,(H3,21,22)/b23-13+
InChIKeyADAJSKCZWSENIO-YDZHTSKRSA-N
MW376.34 g/mol
LogP4.89
Rot. Bonds2

About 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide

2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide (PubChem CID 123318457) has the molecular formula C19H26BrN3 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide.

Molecular Properties

Compound Name2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide
PubChem CID123318457
Molecular FormulaC19H26BrN3
Molecular Weight376.34 g/mol
Exact Mass375.13
IUPAC Name2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide
SMILES[H]/N=C(N)/C(C)=N/C1c2cc(Br)ccc2CC12CC(C)CC(C)C2
InChIInChI=1S/C19H26BrN3/c1-11-6-12(2)9-19(8-11)10-14-4-5-15(20)7-16(14)17(19)23-13(3)18(21)22/h4-5,7,11-12,17H,6,8-10H2,1-3H3,(H3,21,22)/b23-13+
InChIKeyADAJSKCZWSENIO-YDZHTSKRSA-N
XLogP4.89
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.89
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'}

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Related Compounds

6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57385883
6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386666
6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 67979367
6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 67979577
6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57387170
CID 67984529
CID 67984529
CID 67984584
CID 67984584
CID 137208606
CID 137208606
CID 123461367
CID 123461367
16-Bromo-12,12-dimethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,14(19),15,17-octaene
CID 123873591
N'-[(5-bromo-2-methylphenyl)-cyclohexylmethyl]-2-iminopropanimidamide
CID 126629262
CID 126629462
CID 126629462

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide?
The IUPAC name of 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide (CID 123318457) is 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide.
What is the SMILES notation for 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide?
The canonical SMILES for 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide is [H]/N=C(N)/C(C)=N/C1c2cc(Br)ccc2CC12CC(C)CC(C)C2.
What is the InChIKey of 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide?
The InChIKey is ADAJSKCZWSENIO-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H26BrN3/c1-11-6-12(2)9-19(8-11)10-14-4-5-15(20)7-16(14)17(19)23-13(3)18(21)22/h4-5,7,11-12,17H,6,8-10H2,1-3H3,(H3,21,22)/b23-13+.
What are the key properties of 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide?
2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide has a molecular weight of 376.34 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3',5'-dimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)iminopropanimidamide is sourced from PubChem (CID 123318457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).