N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride

C19H29ClN2O — CID 119642304

IUPACN-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC12CCCc1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-3-18(20,4-2)13-21-17(22)16-12-19(16)11-7-9-14-8-5-6-10-15(14)19;/h5-6,8,10,16H,3-4,7,9,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyJJRLCTCVHWIMCM-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.34
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride (PubChem CID 119642304) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
PubChem CID119642304
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC12CCCc1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-3-18(20,4-2)13-21-17(22)16-12-19(16)11-7-9-14-8-5-6-10-15(14)19;/h5-6,8,10,16H,3-4,7,9,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyJJRLCTCVHWIMCM-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709
(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 167893640
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 124780671
N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride (CID 119642304) is N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CC12CCCc1ccccc12.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The InChIKey is JJRLCTCVHWIMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-3-18(20,4-2)13-21-17(22)16-12-19(16)11-7-9-14-8-5-6-10-15(14)19;/h5-6,8,10,16H,3-4,7,9,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride is sourced from PubChem (CID 119642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).