N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine

C16H21NO — CID 79374306

IUPACN-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
SMILESCOc1ccc2c(c1)C1(CC2)CC1CNC1CC1
InChIInChI=1S/C16H21NO/c1-18-14-5-2-11-6-7-16(15(11)8-14)9-12(16)10-17-13-3-4-13/h2,5,8,12-13,17H,3-4,6-7,9-10H2,1H3
InChIKeyZQSLZWDUZFKLDO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine

N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine (PubChem CID 79374306) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
PubChem CID79374306
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
SMILESCOc1ccc2c(c1)C1(CC2)CC1CNC1CC1
InChIInChI=1S/C16H21NO/c1-18-14-5-2-11-6-7-16(15(11)8-14)9-12(16)10-17-13-3-4-13/h2,5,8,12-13,17H,3-4,6-7,9-10H2,1H3
InChIKeyZQSLZWDUZFKLDO-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 81351637
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine
CID 105496966
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]cyclopropanamine
CID 116995664
5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
CID 105359776
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine (CID 79374306) is N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine is COc1ccc2c(c1)C1(CC2)CC1CNC1CC1.
What is the InChIKey of N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine?
The InChIKey is ZQSLZWDUZFKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-14-5-2-11-6-7-16(15(11)8-14)9-12(16)10-17-13-3-4-13/h2,5,8,12-13,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine?
N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79374306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).