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

C17H23N — CID 104986364

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H23N/c1-18-15(10-11-6-7-11)17-14-9-8-12-4-2-3-5-13(12)16(14)17/h2-5,11,14-18H,6-10H2,1H3
InChIKeyZJHSLJMSPCCEAJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.35
Rot. Bonds4

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

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine (PubChem CID 104986364) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
PubChem CID104986364
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H23N/c1-18-15(10-11-6-7-11)17-14-9-8-12-4-2-3-5-13(12)16(14)17/h2-5,11,14-18H,6-10H2,1H3
InChIKeyZJHSLJMSPCCEAJ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.35
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)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846708
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)-3-ethyl-N-methylpentan-1-amine
CID 105028073
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-methylethanamine
CID 115779942
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)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014958
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-5-yl)ethanamine
CID 105030390
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-ethylcyclohexyl)methanol
CID 115807350
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-ethylbut-3-yn-1-amine
CID 114978077

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine (CID 104986364) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine is CNC(CC1CC1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The InChIKey is ZJHSLJMSPCCEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-18-15(10-11-6-7-11)17-14-9-8-12-4-2-3-5-13(12)16(14)17/h2-5,11,14-18H,6-10H2,1H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine has a molecular weight of 241.38 g/mol, XLogP of 3.35, 4 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)-2-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 104986364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).