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

C18H27ClN2O — CID 119666795

IUPACN-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CC12CCc1ccccc12.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-3-7-14(12-19)20-17(21)16-11-18(16)10-9-13-6-4-5-8-15(13)18;/h4-6,8,14,16H,2-3,7,9-12,19H2,1H3,(H,20,21);1H
InChIKeyXXDYFKANTRWEEN-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.95
Rot. Bonds6

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

N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride (PubChem CID 119666795) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
PubChem CID119666795
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CC12CCc1ccccc12.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-3-7-14(12-19)20-17(21)16-11-18(16)10-9-13-6-4-5-8-15(13)18;/h4-6,8,14,16H,2-3,7,9-12,19H2,1H3,(H,20,21);1H
InChIKeyXXDYFKANTRWEEN-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride (CID 119666795) is N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CC12CCc1ccccc12.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
The InChIKey is XXDYFKANTRWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-2-3-7-14(12-19)20-17(21)16-11-18(16)10-9-13-6-4-5-8-15(13)18;/h4-6,8,14,16H,2-3,7,9-12,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride is sourced from PubChem (CID 119666795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).