N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine

C15H21N — CID 83909985

IUPACN-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
SMILESCNCC1c2ccccc2CCC12CCC2
InChIInChI=1S/C15H21N/c1-16-11-14-13-6-3-2-5-12(13)7-10-15(14)8-4-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyLNIHBZBMXQVOKS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.11
Rot. Bonds2

About N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine

N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine (PubChem CID 83909985) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
PubChem CID83909985
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
SMILESCNCC1c2ccccc2CCC12CCC2
InChIInChI=1S/C15H21N/c1-16-11-14-13-6-3-2-5-12(13)7-10-15(14)8-4-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyLNIHBZBMXQVOKS-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.11
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'-cyclopropane]-1-ylmethanamine
CID 83908422
N-methyl-1-spiro[6,8-dihydro-5H-isoquinoline-7,1'-cyclopropane]-8-ylmethanamine
CID 112715634
N-methyl-1-spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-8-ylmethanamine
CID 112715636
2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
CID 83911492
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81028858
(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
CID 22294456
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine?
The IUPAC name of N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine (CID 83909985) is N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine?
The canonical SMILES for N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine is CNCC1c2ccccc2CCC12CCC2.
What is the InChIKey of N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine?
The InChIKey is LNIHBZBMXQVOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-11-14-13-6-3-2-5-12(13)7-10-15(14)8-4-9-15/h2-3,5-6,14,16H,4,7-11H2,1H3.
What are the key properties of N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine?
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine is sourced from PubChem (CID 83909985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).