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

C17H25N — CID 115778284

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H25N/c1-3-7-15(18-4-2)17-14-11-10-12-8-5-6-9-13(12)16(14)17/h5-6,8-9,14-18H,3-4,7,10-11H2,1-2H3
InChIKeyBBPQMUALTXFNHQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.74
Rot. Bonds5

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

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine (PubChem CID 115778284) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
PubChem CID115778284
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H25N/c1-3-7-15(18-4-2)17-14-11-10-12-8-5-6-9-13(12)16(14)17/h5-6,8-9,14-18H,3-4,7,10-11H2,1-2H3
InChIKeyBBPQMUALTXFNHQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.74
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-ethyl-5-methylhexan-1-amine
CID 105029069
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992964
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbut-3-yn-1-amine
CID 114978077
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105008227
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854478
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015373
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine
CID 114977863
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005648
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
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)-2-propoxyethyl]hydrazine
CID 105321431

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine (CID 115778284) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine is CCCC(NCC)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine?
The InChIKey is BBPQMUALTXFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-7-15(18-4-2)17-14-11-10-12-8-5-6-9-13(12)16(14)17/h5-6,8-9,14-18H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.74, 5 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-ethylbutan-1-amine is sourced from PubChem (CID 115778284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).