N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine

C13H18N2 — CID 112715634

IUPACN-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine
SMILESCNCC1c2cnccc2CCC12CC2
InChIInChI=1S/C13H18N2/c1-14-9-12-11-8-15-7-3-10(11)2-4-13(12)5-6-13/h3,7-8,12,14H,2,4-6,9H2,1H3
InChIKeyIAIPYLFIYFPAHD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine

N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine (PubChem CID 112715634) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine
PubChem CID112715634
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine
SMILESCNCC1c2cnccc2CCC12CC2
InChIInChI=1S/C13H18N2/c1-14-9-12-11-8-15-7-3-10(11)2-4-13(12)5-6-13/h3,7-8,12,14H,2,4-6,9H2,1H3
InChIKeyIAIPYLFIYFPAHD-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine?
The IUPAC name of N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine (CID 112715634) is N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine?
The canonical SMILES for N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine is CNCC1c2cnccc2CCC12CC2.
What is the InChIKey of N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine?
The InChIKey is IAIPYLFIYFPAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-9-12-11-8-15-7-3-10(11)2-4-13(12)5-6-13/h3,7-8,12,14H,2,4-6,9H2,1H3.
What are the key properties of N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine?
N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine is sourced from PubChem (CID 112715634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).