1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine

C14H19N — CID 115779942

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
SMILESCNC(C)C1C2CCc3ccccc3C21
InChIInChI=1S/C14H19N/c1-9(15-2)13-12-8-7-10-5-3-4-6-11(10)14(12)13/h3-6,9,12-15H,7-8H2,1-2H3
InChIKeyWQKXZEAZODWCME-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.57
Rot. Bonds2

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine (PubChem CID 115779942) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
PubChem CID115779942
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
SMILESCNC(C)C1C2CCc3ccccc3C21
InChIInChI=1S/C14H19N/c1-9(15-2)13-12-8-7-10-5-3-4-6-11(10)14(12)13/h3-6,9,12-15H,7-8H2,1-2H3
InChIKeyWQKXZEAZODWCME-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-ethyl-N-methylpentan-1-amine
CID 105028073
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylbut-3-en-1-amine
CID 115814134
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820368
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-methylethanamine
CID 105007913
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846708
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-5-methylhexan-1-amine
CID 105029069
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014958
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 115860005
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854478

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine (CID 115779942) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine is CNC(C)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine?
The InChIKey is WQKXZEAZODWCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9(15-2)13-12-8-7-10-5-3-4-6-11(10)14(12)13/h3-6,9,12-15H,7-8H2,1-2H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine has a molecular weight of 201.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 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-methylethanamine is sourced from PubChem (CID 115779942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).