N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride

C15H21ClN2O — CID 119406914

IUPACN-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C15H20N2O.ClH/c16-8-3-9-17-14(18)13-10-15(13)7-6-11-4-1-2-5-12(11)15;/h1-2,4-5,13H,3,6-10,16H2,(H,17,18);1H
InChIKeyNHXNGNKGTCIWNG-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.78
Rot. Bonds4

About N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride

N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride (PubChem CID 119406914) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
PubChem CID119406914
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C15H20N2O.ClH/c16-8-3-9-17-14(18)13-10-15(13)7-6-11-4-1-2-5-12(11)15;/h1-2,4-5,13H,3,6-10,16H2,(H,17,18);1H
InChIKeyNHXNGNKGTCIWNG-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
N-(2-piperidin-3-ylethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119557248
N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119607246
N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119465619
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride (CID 119406914) is N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CC12CCc1ccccc12.
What is the InChIKey of N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The InChIKey is NHXNGNKGTCIWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c16-8-3-9-17-14(18)13-10-15(13)7-6-11-4-1-2-5-12(11)15;/h1-2,4-5,13H,3,6-10,16H2,(H,17,18);1H.
What are the key properties of N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride is sourced from PubChem (CID 119406914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).