ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen

C16H23NO — CID 145374436

IUPACethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
SMILESCC.CN[C@H](C=O)Cc1ccc2ccccc2c1.[H][H]
InChIInChI=1S/C14H15NO.C2H6.H2/c1-15-14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;1-2;/h2-8,10,14-15H,9H2,1H3;1-2H3;1H/t14-;;/m0../s1
InChIKeyHRSMSQUFUBPRSI-UTLKBRERSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds4

About ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen

ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen (PubChem CID 145374436) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
PubChem CID145374436
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Nameethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
SMILESCC.CN[C@H](C=O)Cc1ccc2ccccc2c1.[H][H]
InChIInChI=1S/C14H15NO.C2H6.H2/c1-15-14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;1-2;/h2-8,10,14-15H,9H2,1H3;1-2H3;1H/t14-;;/m0../s1
InChIKeyHRSMSQUFUBPRSI-UTLKBRERSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
(2S)-3-(1H-indol-2-yl)-2-(methylamino)propanal
CID 135189875
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 173310860
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
CID 64663925
1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane
CID 143339611

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen?
The IUPAC name of ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen (CID 145374436) is ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen.
What is the SMILES notation for ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen?
The canonical SMILES for ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen is CC.CN[C@H](C=O)Cc1ccc2ccccc2c1.[H][H].
What is the InChIKey of ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen?
The InChIKey is HRSMSQUFUBPRSI-UTLKBRERSA-N. The full InChI is InChI=1S/C14H15NO.C2H6.H2/c1-15-14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;1-2;/h2-8,10,14-15H,9H2,1H3;1-2H3;1H/t14-;;/m0../s1.
What are the key properties of ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen?
ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen has a molecular weight of 245.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen is sourced from PubChem (CID 145374436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).