1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine

C19H27NO — CID 115846708

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C19H27NO/c1-20-17(12-13-8-10-21-11-9-13)19-16-7-6-14-4-2-3-5-15(14)18(16)19/h2-5,13,16-20H,6-12H2,1H3
InChIKeyABCLWRNXOKUWBK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.37
Rot. Bonds4

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846708) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID115846708
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C19H27NO/c1-20-17(12-13-8-10-21-11-9-13)19-16-7-6-14-4-2-3-5-15(14)18(16)19/h2-5,13,16-20H,6-12H2,1H3
InChIKeyABCLWRNXOKUWBK-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 115846708) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is ABCLWRNXOKUWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-20-17(12-13-8-10-21-11-9-13)19-16-7-6-14-4-2-3-5-15(14)18(16)19/h2-5,13,16-20H,6-12H2,1H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).