trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde

C24H29NO — CID 138467987

IUPACtrans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde
SMILESN[C@]1(C=O)CC[C@H](c2ccc3c(c2)CCC(CCc2ccccc2)C3)C1
InChIInChI=1S/C24H29NO/c25-24(17-26)13-12-23(16-24)22-11-10-20-14-19(8-9-21(20)15-22)7-6-18-4-2-1-3-5-18/h1-5,10-11,15,17,19,23H,6-9,12-14,16,25H2/t19?,23-,24+/m0/s1
InChIKeyDYFWRRQFKSLXNN-ZJWHSJSFSA-N
MW347.50 g/mol
LogP4.59
Rot. Bonds5

About trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde

trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde (PubChem CID 138467987) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde
PubChem CID138467987
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Nametrans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde
SMILESN[C@]1(C=O)CC[C@H](c2ccc3c(c2)CCC(CCc2ccccc2)C3)C1
InChIInChI=1S/C24H29NO/c25-24(17-26)13-12-23(16-24)22-11-10-20-14-19(8-9-21(20)15-22)7-6-18-4-2-1-3-5-18/h1-5,10-11,15,17,19,23H,6-9,12-14,16,25H2/t19?,23-,24+/m0/s1
InChIKeyDYFWRRQFKSLXNN-ZJWHSJSFSA-N
XLogP4.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde (CID 138467987) is trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde is N[C@]1(C=O)CC[C@H](c2ccc3c(c2)CCC(CCc2ccccc2)C3)C1.
What is the InChIKey of trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde?
The InChIKey is DYFWRRQFKSLXNN-ZJWHSJSFSA-N. The full InChI is InChI=1S/C24H29NO/c25-24(17-26)13-12-23(16-24)22-11-10-20-14-19(8-9-21(20)15-22)7-6-18-4-2-1-3-5-18/h1-5,10-11,15,17,19,23H,6-9,12-14,16,25H2/t19?,23-,24+/m0/s1.
What are the key properties of trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde?
trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde has a molecular weight of 347.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 138467987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).