1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine

C20H25N — CID 43081550

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCC(NCc1cccc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C20H25N/c1-14(20-12-15-9-10-17(20)11-15)21-13-18-7-4-6-16-5-2-3-8-19(16)18/h2-8,14-15,17,20-21H,9-13H2,1H3
InChIKeyINVSGDMBCWAFNG-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.75
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 43081550) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID43081550
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCC(NCc1cccc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C20H25N/c1-14(20-12-15-9-10-17(20)11-15)21-13-18-7-4-6-16-5-2-3-8-19(16)18/h2-8,14-15,17,20-21H,9-13H2,1H3
InChIKeyINVSGDMBCWAFNG-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 80701361
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-4-chlorophenol
CID 43095886

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 43081550) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine is CC(NCc1cccc2ccccc12)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is INVSGDMBCWAFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(20-12-15-9-10-17(20)11-15)21-13-18-7-4-6-16-5-2-3-8-19(16)18/h2-8,14-15,17,20-21H,9-13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 43081550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).