N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C18H26N2O — CID 119607246

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H26N2O/c1-12(2)17(3,11-19)20-16(21)15-10-18(15)9-8-13-6-4-5-7-14(13)18/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,21)
InChIKeyXSAWRVPHYKRPQD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.38
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 119607246) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID119607246
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H26N2O/c1-12(2)17(3,11-19)20-16(21)15-10-18(15)9-8-13-6-4-5-7-14(13)18/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,21)
InChIKeyXSAWRVPHYKRPQD-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782
N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722
2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 120686692

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 119607246) is N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is CC(C)C(C)(CN)NC(=O)C1CC12CCc1ccccc12.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is XSAWRVPHYKRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)17(3,11-19)20-16(21)15-10-18(15)9-8-13-6-4-5-7-14(13)18/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 119607246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).