2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine

C16H23N — CID 83911492

IUPAC2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
SMILESCC(CN)C1c2ccccc2CCC12CCC2
InChIInChI=1S/C16H23N/c1-12(11-17)15-14-6-3-2-5-13(14)7-10-16(15)8-4-9-16/h2-3,5-6,12,15H,4,7-11,17H2,1H3
InChIKeyHUMXAERJGNIZRX-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.48
Rot. Bonds2

About 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine

2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine (PubChem CID 83911492) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
PubChem CID83911492
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
SMILESCC(CN)C1c2ccccc2CCC12CCC2
InChIInChI=1S/C16H23N/c1-12(11-17)15-14-6-3-2-5-13(14)7-10-16(15)8-4-9-16/h2-3,5-6,12,15H,4,7-11,17H2,1H3
InChIKeyHUMXAERJGNIZRX-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
CID 83909985
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylpropan-1-amine
CID 83910389
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-ylmethanamine
CID 83908422
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol
CID 126839227
(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
CID 22294456
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
methyl 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 113369056
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534

Frequently Asked Questions

What is the IUPAC name of 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine?
The IUPAC name of 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine (CID 83911492) is 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine.
What is the SMILES notation for 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine?
The canonical SMILES for 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine is CC(CN)C1c2ccccc2CCC12CCC2.
What is the InChIKey of 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine?
The InChIKey is HUMXAERJGNIZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(11-17)15-14-6-3-2-5-13(14)7-10-16(15)8-4-9-16/h2-3,5-6,12,15H,4,7-11,17H2,1H3.
What are the key properties of 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine?
2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine is sourced from PubChem (CID 83911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).