2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide

C16H20N2O — CID 62097513

IUPAC2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
SMILESCCNC(=O)C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-18-16(19)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11,17H2,1H3,(H,18,19)
InChIKeyDHMGIAQYQGBNSR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide

2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide (PubChem CID 62097513) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
PubChem CID62097513
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
SMILESCCNC(=O)C(CN)Cc1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-18-16(19)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11,17H2,1H3,(H,18,19)
InChIKeyDHMGIAQYQGBNSR-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 62095432
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
(3S)-4-methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 7168133
2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
CID 113328883
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
2-[(2,2-dimethylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245534
(2S)-2-(ethylcarbamoyloxy)-3-naphthalen-1-ylpropanoic acid
CID 70357471
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2S)-2-(azaniumylmethyl)-3-naphthalen-1-ylpropanoate
CID 29061426

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide (CID 62097513) is 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide is CCNC(=O)C(CN)Cc1cccc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide?
The InChIKey is DHMGIAQYQGBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18-16(19)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14H,2,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide?
2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 62097513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).