2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine

C20H25N — CID 114939304

IUPAC2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H25N/c1-21-19(13-14-5-2-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h4,7-8,11-12,14,19,21H,2-3,5-6,9-10,13H2,1H3
InChIKeyLLDXGYGRERALCA-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.78
Rot. Bonds4

About 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine

2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine (PubChem CID 114939304) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
PubChem CID114939304
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H25N/c1-21-19(13-14-5-2-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h4,7-8,11-12,14,19,21H,2-3,5-6,9-10,13H2,1H3
InChIKeyLLDXGYGRERALCA-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
CID 114939639
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 114939286
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939601
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 114939266

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine (CID 114939304) is 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine is CNC(CC1CCCC1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine?
The InChIKey is LLDXGYGRERALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-21-19(13-14-5-2-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h4,7-8,11-12,14,19,21H,2-3,5-6,9-10,13H2,1H3.
What are the key properties of 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine?
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine is sourced from PubChem (CID 114939304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).