N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine

C15H21NO — CID 107150183

IUPACN-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12COCc1ccccc12
InChIInChI=1S/C15H21NO/c1-11(2)16-8-13-7-15(13)10-17-9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyLYSMTRBMFHBPAH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.47
Rot. Bonds3

About N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine

N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine (PubChem CID 107150183) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
PubChem CID107150183
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12COCc1ccccc12
InChIInChI=1S/C15H21NO/c1-11(2)16-8-13-7-15(13)10-17-9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyLYSMTRBMFHBPAH-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
CID 107150400
2-[4-(1-aminoethyl)-1,3-dihydroisochromen-4-yl]ethanol
CID 107150396
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
4-(oxolan-2-ylmethylamino)-1,3-dihydroisochromene-4-carboxamide
CID 107149776
N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
CID 63333426
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
N-[[2-ethyl-2-(furan-2-yl)cyclopropyl]methyl]propan-2-amine
CID 62708935
3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
CID 153095683

Frequently Asked Questions

What is the IUPAC name of N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine?
The IUPAC name of N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine (CID 107150183) is N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine?
The canonical SMILES for N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine is CC(C)NCC1CC12COCc1ccccc12.
What is the InChIKey of N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine?
The InChIKey is LYSMTRBMFHBPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)16-8-13-7-15(13)10-17-9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine?
N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine is sourced from PubChem (CID 107150183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).